methyl 3-[5-cyano-2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]thiophene-2-carboxylate

Systemtic Name: methyl 3-[5-cyano-2,4-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-1-yl]thiophene-2-carboxylate Openeye Name: methyl 3-(3-benzyl-5-cyano-2,4-dioxo-pyrimidin-1-yl)thiophene-2-carboxylate CAS Name: 3-[5-cyano-2,4-dioxo-3-(phenylmethyl)-1-pyrimidinyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-benzyl-5-cyano-2,4-dioxopyrimidin-1-yl)thiophene-2-carboxylate Traditional Name: 3-(3-benzyl-5-cyano-2,4-diketo-pyrimidin-1-yl)thiophene-2-carboxylic acid methyl ester Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)N2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=C(C=CS1)N2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C18H13N3O4S/c1-25-17(23)15-14(7-8-26-15)20-11-13(9-19)16(22)21(18(20)24)10-12-5-3-2-4-6-12/h2-8,11H,10H2,1H3