N-butylaniline; 5-(4-fluorophenyl)-3-methyl-2-(propylamino)-6-pyridin-4-yl-pyrimidin-4-one; hydrochloride

Systemtic Name: N-butylaniline; 5-(4-fluorophenyl)-3-methyl-2-(propylamino)-6-pyridin-4-yl-pyrimidin-4-one; hydrochloride Openeye Name: N-butylaniline; 5-(4-fluorophenyl)-3-methyl-2-(propylamino)-6-(4-pyridyl)pyrimidin-4-one; hydrochloride CAS Name: N-butylaniline; 5-(4-fluorophenyl)-3-methyl-2-(propylamino)-6-pyridin-4-yl-4-pyrimidinone; hydrochloride IUPAC Name: N-butylaniline; 5-(4-fluorophenyl)-3-methyl-2-(propylamino)-6-pyridin-4-ylpyrimidin-4-one; hydrochloride Traditional Name: butyl(phenyl)amine; 5-(4-fluorophenyl)-3-methyl-2-(propylamino)-6-(4-pyridyl)pyrimidin-4-one; hydrochloride Formula: C29H35ClFN5O MolecularWeight: 524.072503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1.CCCNC1=NC(=C(C(=O)N1C)C2=CC=C(C=C2)F)C3=CC=NC=C3.Cl

Isomeric SMILES

CCCCNC1=CC=CC=C1.CCCNC1=NC(=C(C(=O)N1C)C2=CC=C(C=C2)F)C3=CC=NC=C3.Cl

InChI

InChI=1S/C19H19FN4O.C10H15N.ClH/c1-3-10-22-19-23-17(14-8-11-21-12-9-14)16(18(25)24(19)2)13-4-6-15(20)7-5-13;1-2-3-9-11-10-7-5-4-6-8-10;/h4-9,11-12H,3,10H2,1-2H3,(H,22,23);4-8,11H,2-3,9H2,1H3;1H