9-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6H,7H,8H-pyrimido[1,2-g]purine-2,4-dione
HIT217591018
sdf文件结构编辑类似物检索
HIT ID: HIT217591018
Cas No: 955121-65-0
分子式: C20H22N6O2
分子量: 378.436
常用名: 9-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6H,7H,8H-pyrimido[1,2-g]purine-2,4-dione
常用名: 9-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-6H,7H,8H-pyrimido[1,2-g]purine-2,4-dione
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 9-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
IUPAC: 9-[2-(1H-indol-3-yl)ethyl]-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
SMILES: Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
SMILES: Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O
InChI key: PUJKERUFRDZALE-UHFFFAOYSA-N
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