Mrv1909 03012120112 d 19 20 0 0 1 0 999 V2000型1.4289 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9293 -5.2049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4143 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9293 -3.8701 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0012 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 1 0 0 0 0 4 1 5 0 0 0 0 4 1 1 0 0 0 0 5 6 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 10 14 1 0 0 0 0 11 15 15 16 1 1 0 0 0 0 0 0 0 0 7 16 1 0 0 0 0 16 17 2 0 0 0 0 15 19 18 1 0 0 0 0 2 1 1 0 0 0 M >结束
DBMET03235 >
drugbank >
C [C@@H] (O) CCCCN1C (= O) N (C) C2 = C(数控= N2) C1 = O >
InChI = 1 s / C12H18N4O3 c1-8 (17) 5-3-4-6-16-11 (18) 9 (14-7-13-9) 15 (2) 12 (16) 19 / h7-8 17 H, 3-6H2, 1-2H3 (H, 13、14) / t8 - m1 / s1 >
BMMSHXKNEHRMPT-MRVPVSSYSA-N >
C12H18N4O3 >
266.301 >
266.137890456 >
4 >
37 >
-0.1345758206841369 >
27.93324017709626 >
1 >
2 >
0 >
1 >
1 - (5 r) 5-hydroxyhexyl 3-methyl-2, 3、6 7-tetrahydro-1H-purine-2 6-dione >
-0.020957569666666648 >
0 >
0 >
2 >
0 >
17.68303306498672 >
7.808261918607147 >
-0.7220245020168742 >
89.53000000000002 >
69.75659999999998 >
5 >
1 >
N-demethyldiltiazem >
0 >
DBMET03235 >
M7 7-demethylated M1 Pentoxifylline $ $ $ $