Naxifylline
HIT214319965
sdf文件结构编辑类似物检索
HIT ID: HIT214319965
Cas No: 166374-49-8
分子式: C18H24N4O3
分子量: 344.415
常用名: Naxifylline
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 8-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.0^{2,4}]octan-6-yl]-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC: 8-[(1S,2R,4S,5S,6S)-3-oxatricyclo[3.2.1.0^{2,4}]octan-6-yl]-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES: [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])C[C@@H]1c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |TLB:12:11:3.1:7,2:3:7:11.10,THB:2:1:7:11.10|
SMILES: [H][C@]12O[C@@]1([H])[C@@]1([H])C[C@]2([H])C[C@@H]1c1nc2n(CCC)c(=O)n(CCC)c(=O)c2[nH]1 |TLB:12:11:3.1:7,2:3:7:11.10,THB:2:1:7:11.10|
InChI key: OQCJPFYWFGUHIN-GJKBLCTNSA-N
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