3-[(4-bromophenyl)methyl]-5-phenyl-1-prop-2-enyl-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 3-[(4-bromophenyl)methyl]-5-phenyl-1-prop-2-enyl-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 1-allyl-3-[(4-bromophenyl)methyl]-5-phenyl-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-[(4-bromophenyl)methyl]-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 3-[(4-bromophenyl)methyl]-5-phenyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 1-allyl-3-(4-bromobenzyl)-5-phenyl-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C(=CS2)C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)Br

Isomeric SMILES

C=CCN1C2=C(C(=CS2)C3=CC=CC=C3)C(=O)N(C1=O)CC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H17BrN2O2S/c1-2-12-24-21-19(18(14-28-21)16-6-4-3-5-7-16)20(26)25(22(24)27)13-15-8-10-17(23)11-9-15/h2-11,14H,1,12-13H2