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

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H19N3O3S/c1-4-23-16(22)13-9-19-17(20-15(13)18)24-11(3)14(21)12-7-5-10(2)6-8-12/h5-9,11H,4H2,1-3H3,(H2,18,19,20)/t11-/m1/s1