6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride

Systemtic Name: 6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride Openeye Name: 6-phenyl-4-(4-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride CAS Name: 6-phenyl-4-(4-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride IUPAC Name: 6-phenyl-4-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride Traditional Name: [6-phenyl-4-(4-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amine hydrate hydrochloride Formula: C17H22ClN5O MolecularWeight: 347.84248

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)N.O.Cl

Isomeric SMILES

C1CNCCC1C2=NC(=NC3=C2NC(=C3)C4=CC=CC=C4)N.O.Cl

InChI

InChI=1S/C17H19N5.ClH.H2O/c18-17-21-14-10-13(11-4-2-1-3-5-11)20-16(14)15(22-17)12-6-8-19-9-7-12;;/h1-5,10,12,19-20H,6-9H2,(H2,18,21,22);1H;1H2