2-(3-bromophenyl)-3-prop-2-enyl-thiochromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 2-(3-bromophenyl)-3-prop-2-enyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 3-allyl-2-(3-bromophenyl)thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(3-bromophenyl)-3-prop-2-enylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(3-bromophenyl)-3-prop-2-enylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 3-allyl-2-(3-bromophenyl)thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C20H13BrN2O2S MolecularWeight: 425.29842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)Br

Isomeric SMILES

C=CCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H13BrN2O2S/c1-2-10-23-18(12-6-5-7-13(21)11-12)22-19-16(20(23)25)17(24)14-8-3-4-9-15(14)26-19/h2-9,11H,1,10H2