N-methyl-6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride

Systemtic Name: N-methyl-6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride Openeye Name: N-methyl-6-(1-phenyl-4-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride CAS Name: N-methyl-6-(1-phenyl-4-piperidinyl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride IUPAC Name: N-methyl-6-(1-phenylpiperidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine hydrate hydrochloride Traditional Name: methyl-[6-(1-phenyl-4-piperidyl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amine hydrate hydrochloride Formula: C18H24ClN5O MolecularWeight: 361.86906

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=C2C(=N1)C=C(N2)C3CCN(CC3)C4=CC=CC=C4.O.Cl

Isomeric SMILES

CNC1=NC=C2C(=N1)C=C(N2)C3CCN(CC3)C4=CC=CC=C4.O.Cl

InChI

InChI=1S/C18H21N5.ClH.H2O/c1-19-18-20-12-17-16(22-18)11-15(21-17)13-7-9-23(10-8-13)14-5-3-2-4-6-14;;/h2-6,11-13,21H,7-10H2,1H3,(H,19,20,22);1H;1H2