1-(2-phenylpiperidin-4-yl)pyrrolo[3,2-d]pyrimidine-2-carboxamide hydrate hydrochloride

Systemtic Name: 1-(2-phenylpiperidin-4-yl)pyrrolo[3,2-d]pyrimidine-2-carboxamide hydrate hydrochloride Openeye Name: 1-(2-phenyl-4-piperidyl)pyrrolo[3,2-d]pyrimidine-2-carboxamide hydrate hydrochloride CAS Name: 1-(2-phenyl-4-piperidinyl)-2-pyrrolo[3,2-d]pyrimidinecarboxamide hydrate hydrochloride IUPAC Name: 1-(2-phenylpiperidin-4-yl)pyrrolo[3,2-d]pyrimidine-2-carboxamide hydrate hydrochloride Traditional Name: 1-(2-phenyl-4-piperidyl)pyrrolo[3,2-d]pyrimidine-2-carboxamide hydrate hydrochloride Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC1N2C3=CC=NC3=CN=C2C(=O)N)C4=CC=CC=C4.O.Cl

Isomeric SMILES

C1CNC(CC1N2C3=CC=NC3=CN=C2C(=O)N)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C18H19N5O.ClH.H2O/c19-17(24)18-22-11-15-16(7-9-21-15)23(18)13-6-8-20-14(10-13)12-4-2-1-3-5-12;;/h1-5,7,9,11,13-14,20H,6,8,10H2,(H2,19,24);1H;1H2