1-(1-oxidanylbutan-2-yl)-4-oxidanylidene-2-[(phenylmethyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 1-(1-oxidanylbutan-2-yl)-4-oxidanylidene-2-[(phenylmethyl)amino]pyrimidine-5-carbonitrile Openeye Name: 2-(benzylamino)-1-[1-(hydroxymethyl)propyl]-4-oxo-pyrimidine-5-carbonitrile CAS Name: 1-(1-hydroxybutan-2-yl)-4-oxo-2-[(phenylmethyl)amino]-5-pyrimidinecarbonitrile IUPAC Name: 2-(benzylamino)-1-(1-hydroxybutan-2-yl)-4-oxopyrimidine-5-carbonitrile Traditional Name: 2-(benzylamino)-4-keto-1-(1-methylolpropyl)pyrimidine-5-carbonitrile Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C=C(C(=O)N=C1NCC2=CC=CC=C2)C#N

Isomeric SMILES

CCC(CO)N1C=C(C(=O)N=C1NCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H18N4O2/c1-2-14(11-21)20-10-13(8-17)15(22)19-16(20)18-9-12-6-4-3-5-7-12/h3-7,10,14,21H,2,9,11H2,1H3,(H,18,19,22)