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

Systemtic Name: 2-(3-bromophenyl)-3-butyl-thiochromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 2-(3-bromophenyl)-3-butyl-thiochromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 2-(3-bromophenyl)-3-butylthiochromeno[2,3-d]pyrimidine-4,5-dione IUPAC Name: 2-(3-bromophenyl)-3-butylthiochromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 2-(3-bromophenyl)-3-butyl-thiochromeno[2,3-d]pyrimidine-4,5-quinone Formula: C21H17BrN2O2S MolecularWeight: 441.34088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)Br

Isomeric SMILES

CCCCN1C(=NC2=C(C1=O)C(=O)C3=CC=CC=C3S2)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H17BrN2O2S/c1-2-3-11-24-19(13-7-6-8-14(22)12-13)23-20-17(21(24)26)18(25)15-9-4-5-10-16(15)27-20/h4-10,12H,2-3,11H2,1H3