Protheobromine
HIT214317590
sdf文件结构编辑类似物检索
HIT ID: HIT214317590
Cas No: 50-39-5
分子式: C10H14N4O3
分子量: 238.247
常用名: Protheobromine
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 1-(2-hydroxypropyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
IUPAC: 1-(2-hydroxypropyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILES: CC(O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
SMILES: CC(O)Cn1c(=O)n(C)c2ncn(C)c2c1=O
InChI key: MXRGZXBFSKSZPH-UHFFFAOYSA-N
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