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

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H22N4O3S/c1-5-25-17(24)13-9-20-18(22-15(13)19)26-12(4)16(23)21-14-8-10(2)6-7-11(14)3/h6-9,12H,5H2,1-4H3,(H,21,23)(H2,19,20,22)/t12-/m1/s1