6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride

Systemtic Name: 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6-(3,4-dimethylphenyl)-2-methyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6-(3,4-dimethylphenyl)-2-methyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6-(3,4-dimethylphenyl)-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6-(3,4-dimethylphenyl)-2-methyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C20H27ClN4O MolecularWeight: 374.90758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC3=C(N2)C(=NC(=N3)C)N4CCCCC4)C.O.Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC3=C(N2)C(=NC(=N3)C)N4CCCCC4)C.O.Cl

InChI

InChI=1S/C20H24N4.ClH.H2O/c1-13-7-8-16(11-14(13)2)17-12-18-19(23-17)20(22-15(3)21-18)24-9-5-4-6-10-24;;/h7-8,11-12,23H,4-6,9-10H2,1-3H3;1H;1H2