HIT ID: HIT214432839
Cas No: 1293282-55-9
分子式: C21H22N8O3
分子量: 434.46
常用名: Orexin receptor antagonist 3
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 4,6-dimethyl-2-{5-[2-nitro-6-(2H-1,2,3-triazol-2-yl)benzoyl]-octahydropyrrolo[3,4-c]pyrrol-2-yl}pyrimidine
IUPAC: 4,6-dimethyl-2-{5-[2-nitro-6-(2H-1,2,3-triazol-2-yl)benzoyl]-octahydropyrrolo[3,4-c]pyrrol-2-yl}pyrimidine
SMILES: Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(cccc1[N+]([O-])=O)-n1nccn1
SMILES: Cc1cc(C)nc(n1)N1CC2CN(CC2C1)C(=O)c1c(cccc1[N+]([O-])=O)-n1nccn1
InChI key: MPDQVXKSEUGRGO-UHFFFAOYSA-N