3-[1,3-dimethyl-2,4-bis(oxidanylidene)-6-[(phenylmethyl)amino]pyrimidin-5-yl]-3-oxidanylidene-propanenitrile

Systemtic Name: 3-[1,3-dimethyl-2,4-bis(oxidanylidene)-6-[(phenylmethyl)amino]pyrimidin-5-yl]-3-oxidanylidene-propanenitrile Openeye Name: 3-[4-(benzylamino)-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl]-3-oxo-propanenitrile CAS Name: 3-[1,3-dimethyl-2,4-dioxo-6-[(phenylmethyl)amino]-5-pyrimidinyl]-3-oxopropanenitrile IUPAC Name: 3-[4-(benzylamino)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]-3-oxopropanenitrile Traditional Name: 3-[4-(benzylamino)-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl]-3-keto-propionitrile Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)C(=O)CC#N)NCC2=CC=CC=C2

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)C(=O)CC#N)NCC2=CC=CC=C2

InChI

InChI=1S/C16H16N4O3/c1-19-14(18-10-11-6-4-3-5-7-11)13(12(21)8-9-17)15(22)20(2)16(19)23/h3-7,18H,8,10H2,1-2H3