phenethyl 5-methyl-4-oxidanylidene-3-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-3-[(1R)-1-methyl-2-oxo-2-phenyl-ethyl]-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[(2R)-1-oxo-1-phenylpropan-2-yl]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-[(2R)-1-oxo-1-phenylpropan-2-yl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-[(1R)-2-keto-1-methyl-2-phenyl-ethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)C3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)[C@H](C)C(=O)C3=CC=CC=C3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-16-20-23(32-22(16)25(30)31-14-13-18-9-5-3-6-10-18)26-15-27(24(20)29)17(2)21(28)19-11-7-4-8-12-19/h3-12,15,17H,13-14H2,1-2H3/t17-/m1/s1