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

Systemtic Name: 6,7-diphenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Openeye Name: 6,7-diphenyl-4-(1-piperidyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride CAS Name: 6,7-diphenyl-4-(1-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride IUPAC Name: 6,7-diphenyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Traditional Name: 6,7-diphenyl-4-piperidino-5H-pyrrolo[3,2-d]pyrimidine hydrate hydrochloride Formula: C23H25ClN4O MolecularWeight: 408.9238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=NC3=C2NC(=C3C4=CC=CC=C4)C5=CC=CC=C5.O.Cl

Isomeric SMILES

C1CCN(CC1)C2=NC=NC3=C2NC(=C3C4=CC=CC=C4)C5=CC=CC=C5.O.Cl

InChI

InChI=1S/C23H22N4.ClH.H2O/c1-4-10-17(11-5-1)19-20(18-12-6-2-7-13-18)26-22-21(19)24-16-25-23(22)27-14-8-3-9-15-27;;/h1-2,4-7,10-13,16,26H,3,8-9,14-15H2;1H;1H2