2-[(2-azanyl-3-phenyl-propyl)amino]-3-methyl-5-(3-methylphenyl)-6-pyridin-4-yl-pyrimidin-4-one hydrochloride

Systemtic Name: 2-[(2-azanyl-3-phenyl-propyl)amino]-3-methyl-5-(3-methylphenyl)-6-pyridin-4-yl-pyrimidin-4-one hydrochloride Openeye Name: 2-[(2-amino-3-phenyl-propyl)amino]-3-methyl-5-(m-tolyl)-6-(4-pyridyl)pyrimidin-4-one hydrochloride CAS Name: 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-5-(3-methylphenyl)-6-pyridin-4-yl-4-pyrimidinone hydrochloride IUPAC Name: 2-[(2-amino-3-phenylpropyl)amino]-3-methyl-5-(3-methylphenyl)-6-pyridin-4-ylpyrimidin-4-one hydrochloride Traditional Name: 2-[(2-amino-3-phenyl-propyl)amino]-3-methyl-5-(m-tolyl)-6-(4-pyridyl)pyrimidin-4-one hydrochloride Formula: C26H28ClN5O MolecularWeight: 461.98642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(N=C(N(C2=O)C)NCC(CC3=CC=CC=C3)N)C4=CC=NC=C4.Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(N=C(N(C2=O)C)NCC(CC3=CC=CC=C3)N)C4=CC=NC=C4.Cl

InChI

InChI=1S/C26H27N5O.ClH/c1-18-7-6-10-21(15-18)23-24(20-11-13-28-14-12-20)30-26(31(2)25(23)32)29-17-22(27)16-19-8-4-3-5-9-19;/h3-15,22H,16-17,27H2,1-2H3,(H,29,30);1H