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

Systemtic Name: 7-bromanyl-2-(4-tert-butylphenyl)-3-phenethyl-chromeno[2,3-d]pyrimidine-4,5-dione Openeye Name: 7-bromo-2-(4-tert-butylphenyl)-3-phenethyl-chromeno[2,3-d]pyrimidine-4,5-dione CAS Name: 7-bromo-2-(4-tert-butylphenyl)-3-phenethyl[1]benzopyrano[2,3-d]pyrimidine-4,5-dione IUPAC Name: 7-bromo-2-(4-tert-butylphenyl)-3-phenethylchromeno[2,3-d]pyrimidine-4,5-dione Traditional Name: 7-bromo-2-(4-tert-butylphenyl)-3-phenethyl-chromeno[2,3-d]pyrimidine-4,5-quinone Formula: C29H25BrN2O3 MolecularWeight: 529.4244

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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)N2CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C(=O)C4=C(O3)C=CC(=C4)Br)C(=O)N2CCC5=CC=CC=C5

InChI

InChI=1S/C29H25BrN2O3/c1-29(2,3)20-11-9-19(10-12-20)26-31-27-24(25(33)22-17-21(30)13-14-23(22)35-27)28(34)32(26)16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3