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

Systemtic Name: propyl 4-[[5-(4-bromophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: propyl 4-[[5-(4-bromophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[5-(4-bromophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid propyl ester IUPAC Name: propyl 4-[[5-(4-bromophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[5-(4-bromophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid propyl ester Formula: C23H19BrN2O3S MolecularWeight: 483.37756

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H19BrN2O3S/c1-2-11-29-23(28)17-5-3-15(4-6-17)12-26-14-25-21-20(22(26)27)19(13-30-21)16-7-9-18(24)10-8-16/h3-10,13-14H,2,11-12H2,1H3