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

Systemtic Name: 2-(3-bromophenyl)-3-cyclopentyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(3-bromophenyl)-3-cyclopentyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(3-bromophenyl)-3-cyclopentylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(3-bromophenyl)-3-cyclopentylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(3-bromophenyl)-3-cyclopentyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C22H17BrN2O2S MolecularWeight: 453.35158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC(=CC=C5)Br

Isomeric SMILES

C1CCC(C1)N2C(=NC3=C(C2=O)C(=O)C4=CC=CC=C4S3)C5=CC(=CC=C5)Br

InChI

InChI=1S/C22H17BrN2O2S/c23-14-7-5-6-13(12-14)20-24-21-18(22(27)25(20)15-8-1-2-9-15)19(26)16-10-3-4-11-17(16)28-21/h3-7,10-12,15H,1-2,8-9H2