(E)-2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]carbonyl-3-thiophen-2-yl-prop-2-enenitrile

Systemtic Name: (E)-2-[4-azanyl-1-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-5-yl]carbonyl-3-thiophen-2-yl-prop-2-enenitrile Openeye Name: (E)-2-(6-amino-1-benzyl-3-ethyl-2,4-dioxo-pyrimidine-5-carbonyl)-3-(2-thienyl)prop-2-enenitrile CAS Name: (E)-2-[[4-amino-1-ethyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-oxomethyl]-3-thiophen-2-yl-2-propenenitrile IUPAC Name: (E)-2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidine-5-carbonyl)-3-thiophen-2-ylprop-2-enenitrile Traditional Name: (E)-2-(6-amino-1-benzyl-3-ethyl-2,4-diketo-pyrimidine-5-carbonyl)-3-(2-thienyl)acrylonitrile Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C(=CC3=CC=CS3)C#N

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)/C(=C/C3=CC=CS3)/C#N

InChI

InChI=1S/C21H18N4O3S/c1-2-24-20(27)17(18(26)15(12-22)11-16-9-6-10-29-16)19(23)25(21(24)28)13-14-7-4-3-5-8-14/h3-11H,2,13,23H2,1H3/b15-11+