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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-3-(1-oxidanylidene-1-phenylazanyl-propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-(2-anilino-1-methyl-2-oxo-ethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(1-anilino-1-oxopropan-2-yl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1-anilino-1-oxopropan-2-yl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-anilino-2-keto-1-methyl-ethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C(C)C(=O)NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-10-13-16(26-14(10)18(24)25-3)19-9-21(17(13)23)11(2)15(22)20-12-7-5-4-6-8-12/h4-9,11H,1-3H3,(H,20,22)