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

Systemtic Name: propan-2-yl 4-[(3-bromophenyl)amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isopropyl 4-(3-bromoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(3-bromoanilino)-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromoanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(3-bromoanilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isopropyl ester Formula: C17H16BrN3O2S MolecularWeight: 406.29684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)Br)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=CC(=CC=C3)Br)C(=O)OC(C)C

InChI

InChI=1S/C17H16BrN3O2S/c1-9(2)23-17(22)14-10(3)13-15(19-8-20-16(13)24-14)21-12-6-4-5-11(18)7-12/h4-9H,1-3H3,(H,19,20,21)