methyl 2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(m-toluidino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C16H17N3O4S/c1-10-4-3-5-11(6-10)17-14(21)9-24-16-18-12(7-13(20)19-16)8-15(22)23-2/h3-7H,8-9H2,1-2H3,(H,17,21)(H,18,19,20)