ethyl 4-azanyl-2-[(2R)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-(2-methylanilino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-keto-1-methyl-2-(o-toluidino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)NC2=CC=CC=C2C

InChI

InChI=1S/C17H20N4O3S/c1-4-24-16(23)12-9-19-17(21-14(12)18)25-11(3)15(22)20-13-8-6-5-7-10(13)2/h5-9,11H,4H2,1-3H3,(H,20,22)(H2,18,19,21)/t11-/m1/s1