7-bromanyl-2-(4-tert-butylphenyl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione

Systemtic Name: 7-bromanyl-2-(4-tert-butylphenyl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 7-bromo-2-(4-tert-butylphenyl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 7-bromo-2-(4-tert-butylphenyl)-3-[(4-methoxyphenyl)methyl][1]benzopyrano[2,3-d]pyrimidine-4,5-dione IUPAC Name: 7-bromo-2-(4-tert-butylphenyl)-3-[(4-methoxyphenyl)methyl]chromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 7-bromo-2-(4-tert-butylphenyl)-3-p-anisyl-chromeno[2,3-d]pyrimidine-4,5-quinone Formula: C29H25BrN2O4 MolecularWeight: 545.4238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=O)C4=C(O3)C=CC(=C4)Br)C(=O)N2CC5=CC=C(C=C5)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=O)C4=C(O3)C=CC(=C4)Br)C(=O)N2CC5=CC=C(C=C5)OC

InChI

InChI=1S/C29H25BrN2O4/c1-29(2,3)19-9-7-18(8-10-19)26-31-27-24(25(33)22-15-20(30)11-14-23(22)36-27)28(34)32(26)16-17-5-12-21(35-4)13-6-17/h5-15H,16H2,1-4H3