HIT ID: HIT214316577
Cas No: 524944-72-7
分子式: C21H30N4O3
分子量: 386.496
常用名: PSB 36
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-butyl-3-(3-hydroxypropyl)-8-{tricyclo[3.3.1.0^{3,7}]nonan-3-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC: 1-butyl-3-(3-hydroxypropyl)-8-{tricyclo[3.3.1.0^{3,7}]nonan-3-yl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES: CCCCn1c(=O)n(CCCO)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,THB:22:23:26:27.21.20,24:25:22.23:20,24:23:26.25.27:20|
SMILES: CCCCn1c(=O)n(CCCO)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,THB:22:23:26:27.21.20,24:25:22.23:20,24:23:26.25.27:20|
InChI key: CIBIXJYFYPFMTN-UHFFFAOYSA-N
