6-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(2-carbamoylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(2-carbamoylanilino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(2-carbamoylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(2-carbamoylanilino)-2-keto-ethyl]pyrimidin-4-olate Formula: C20H17N4O3S- MolecularWeight: 393.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C20H18N4O3S/c21-19(27)15-8-4-5-9-16(15)23-17(25)10-14-11-18(26)24-20(22-14)28-12-13-6-2-1-3-7-13/h1-9,11H,10,12H2,(H2,21,27)(H,23,25)(H,22,24,26)/p-1