2-[[3-(2-azanyl-4-methyl-phenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(2-azanyl-4-methyl-phenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-(2-amino-4-methyl-phenyl)-2-oxo-hexahydropyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[3-(2-amino-4-methylphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[3-(2-amino-4-methylphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile Traditional Name: 2-[[3-(2-amino-4-methyl-phenyl)-2-keto-hexahydropyrimidin-1-yl]methyl]benzonitrile Formula: C19H20N4O MolecularWeight: 320.3883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCCN(C2=O)CC3=CC=CC=C3C#N)N

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCCN(C2=O)CC3=CC=CC=C3C#N)N

InChI

InChI=1S/C19H20N4O/c1-14-7-8-18(17(21)11-14)23-10-4-9-22(19(23)24)13-16-6-3-2-5-15(16)12-20/h2-3,5-8,11H,4,9-10,13,21H2,1H3