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

Systemtic Name: methyl 2-[2-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S2/c1-10-5-12(27-9-18)3-4-13(10)20-15(23)8-26-17-19-11(6-14(22)21-17)7-16(24)25-2/h3-6H,7-8H2,1-2H3,(H,20,23)(H,19,21,22)