2-methyl-6,7-diphenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 2-methyl-6,7-diphenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 2-methyl-6,7-diphenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 2-methyl-6,7-diphenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 2-methyl-6,7-diphenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 2-methyl-6,7-diphenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C24H27ClN4O MolecularWeight: 422.95038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2C4=CC=CC=C4)C5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2C4=CC=CC=C4)C5=CC=CC=C5.O.Cl

InChI

InChI=1S/C24H24N4.ClH.H2O/c1-17-25-22-20(18-11-5-2-6-12-18)21(19-13-7-3-8-14-19)27-23(22)24(26-17)28-15-9-4-10-16-28;;/h2-3,5-8,11-14,27H,4,9-10,15-16H2,1H3;1H;1H2