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

Systemtic Name: ethyl 4-azanyl-2-[(2R)-1-(diphenylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1R)-1-methyl-2-oxo-2-(N-phenylanilino)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(2R)-1-oxo-1-(N-phenylanilino)propan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2R)-1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(1R)-2-keto-1-methyl-2-(N-phenylanilino)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SC(C)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)S[C@H](C)C(=O)N(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-3-29-21(28)18-14-24-22(25-19(18)23)30-15(2)20(27)26(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-15H,3H2,1-2H3,(H2,23,24,25)/t15-/m1/s1