methyl 2-[2-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)SC2=NC(=O)C=C(N2)CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NC(=O)C=C(N2)CC(=O)OC

InChI

InChI=1S/C17H16N4O4S/c1-10(16(24)19-12-5-3-11(9-18)4-6-12)26-17-20-13(7-14(22)21-17)8-15(23)25-2/h3-7,10H,8H2,1-2H3,(H,19,24)(H,20,21,22)/t10-/m1/s1