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

Systemtic Name: 2-[(2-azanyl-3-phenyl-propyl)amino]-3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-pyrimidin-4-one hydrochloride Openeye Name: 2-[(2-amino-3-phenyl-propyl)amino]-3-ethyl-5-(4-fluorophenyl)-6-(4-pyridyl)pyrimidin-4-one hydrochloride CAS Name: 2-[(2-amino-3-phenylpropyl)amino]-3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-yl-4-pyrimidinone hydrochloride IUPAC Name: 2-[(2-amino-3-phenylpropyl)amino]-3-ethyl-5-(4-fluorophenyl)-6-pyridin-4-ylpyrimidin-4-one hydrochloride Traditional Name: 2-[(2-amino-3-phenyl-propyl)amino]-3-ethyl-5-(4-fluorophenyl)-6-(4-pyridyl)pyrimidin-4-one hydrochloride Formula: C26H27ClFN5O MolecularWeight: 479.976883

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)N)C3=CC=NC=C3)C4=CC=C(C=C4)F.Cl

Isomeric SMILES

CCN1C(=O)C(=C(N=C1NCC(CC2=CC=CC=C2)N)C3=CC=NC=C3)C4=CC=C(C=C4)F.Cl

InChI

InChI=1S/C26H26FN5O.ClH/c1-2-32-25(33)23(19-8-10-21(27)11-9-19)24(20-12-14-29-15-13-20)31-26(32)30-17-22(28)16-18-6-4-3-5-7-18;/h3-15,22H,2,16-17,28H2,1H3,(H,30,31);1H