7-bromanyl-2-(2-methylphenyl)-3-phenethyl-chromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 7-bromanyl-2-(2-methylphenyl)-3-phenethyl-chromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 7-bromo-2-(o-tolyl)-3-phenethyl-chromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 7-bromo-2-(2-methylphenyl)-3-phenethyl[1]benzopyrano[2,3-d]pyrimidine-4,5-dione IUPAC Name: 7-bromo-2-(2-methylphenyl)-3-phenethylchromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 7-bromo-2-(o-tolyl)-3-phenethyl-chromeno[2,3-d]pyrimidine-4,5-quinone Formula: C26H19BrN2O3 MolecularWeight: 487.34466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=C(O3)C=CC(=C4)Br)C(=O)N2CCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(C(=O)C4=C(O3)C=CC(=C4)Br)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C26H19BrN2O3/c1-16-7-5-6-10-19(16)24-28-25-22(23(30)20-15-18(27)11-12-21(20)32-25)26(31)29(24)14-13-17-8-3-2-4-9-17/h2-12,15H,13-14H2,1H3