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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=C(C=C4)C5=CC=CC=C5.O.Cl

Isomeric SMILES

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=C2)C4=CC=C(C=C4)C5=CC=CC=C5.O.Cl

InChI

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