propan-2-yl 3-[[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: propan-2-yl 3-[[5-(4-bromophenyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: isopropyl 3-[[5-(4-bromophenyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(4-bromophenyl)-6-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[5-(4-bromophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[5-(4-bromophenyl)-4-keto-6-methyl-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid isopropyl ester Formula: C24H21BrN2O3S MolecularWeight: 497.40414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)OC(C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC(=C3)C(=O)OC(C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C24H21BrN2O3S/c1-14(2)30-24(29)18-6-4-5-16(11-18)12-27-13-26-22-21(23(27)28)20(15(3)31-22)17-7-9-19(25)10-8-17/h4-11,13-14H,12H2,1-3H3