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

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-2-(2-chloroanilino)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-(2-chloroanilino)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C16H17ClN4O3S/c1-3-24-15(23)10-8-19-16(21-13(10)18)25-9(2)14(22)20-12-7-5-4-6-11(12)17/h4-9H,3H2,1-2H3,(H,20,22)(H2,18,19,21)/t9-/m1/s1