2-[[3-(2-aminophenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(2-aminophenyl)-2-oxidanylidene-1,3-diazinan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[3-(2-aminophenyl)-2-oxo-hexahydropyrimidin-1-yl]methyl]benzonitrile CAS Name: 2-[[3-(2-aminophenyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[3-(2-aminophenyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile Traditional Name: 2-[[3-(2-aminophenyl)-2-keto-hexahydropyrimidin-1-yl]methyl]benzonitrile Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)C2=CC=CC=C2N)CC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(C(=O)N(C1)C2=CC=CC=C2N)CC3=CC=CC=C3C#N

InChI

InChI=1S/C18H18N4O/c19-12-14-6-1-2-7-15(14)13-21-10-5-11-22(18(21)23)17-9-4-3-8-16(17)20/h1-4,6-9H,5,10-11,13,20H2