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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CC#N

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CC#N

InChI

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