ethyl 4-[[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]methyl]-3-methyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)methyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)methyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-3-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)methyl]-2-keto-3-methyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H23BrN6O5 MolecularWeight: 531.35922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CN3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CN3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C22H23BrN6O5/c1-5-34-19(31)14-13(26(2)21(32)24-15(14)12-9-7-6-8-10-12)11-29-16-17(25-20(29)23)27(3)22(33)28(4)18(16)30/h6-10,15H,5,11H2,1-4H3,(H,24,32)