2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: 2-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidine-6-carboxylate Openeye Name: 2-[2-(4-cyanoanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidine-6-carboxylate CAS Name: 2-[[2-(4-cyanoanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidine-6-carboxylate IUPAC Name: 2-[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidine-6-carboxylate Traditional Name: 2-[[2-(4-cyanoanilino)-2-keto-ethyl]thio]-4-keto-1H-pyrimidine-6-carboxylate Formula: C14H9N4O4S- MolecularWeight: 329.31066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CSC2=NC(=O)C=C(N2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CSC2=NC(=O)C=C(N2)C(=O)[O-]

InChI

InChI=1S/C14H10N4O4S/c15-6-8-1-3-9(4-2-8)16-12(20)7-23-14-17-10(13(21)22)5-11(19)18-14/h1-5H,7H2,(H,16,20)(H,21,22)(H,17,18,19)/p-1