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

Systemtic Name: methyl 3-[1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 3-[2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[1-(4-bromoanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[1-(4-bromoanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-bromoanilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H16BrN3O4S MolecularWeight: 450.30634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O4S/c1-9-13-16(27-14(9)18(25)26-3)20-8-22(17(13)24)10(2)15(23)21-12-6-4-11(19)5-7-12/h4-8,10H,1-3H3,(H,21,23)