8-bromanyl-3-methyl-7-[(1R)-2-oxidanylidene-1,2-diphenyl-ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-[(1R)-2-oxidanylidene-1,2-diphenyl-ethyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[(1R)-2-oxo-1,2-diphenyl-ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[(1R)-2-oxo-1,2-diphenylethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[(1R)-2-oxo-1,2-diphenylethyl]purine-2,6-dione Traditional Name: 8-bromo-7-[(1R)-2-keto-1,2-diphenyl-ethyl]-3-methyl-xanthine Formula: C20H15BrN4O3 MolecularWeight: 439.2621

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)[C@H](C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15BrN4O3/c1-24-17-15(18(27)23-20(24)28)25(19(21)22-17)14(12-8-4-2-5-9-12)16(26)13-10-6-3-7-11-13/h2-11,14H,1H3,(H,23,27,28)/t14-/m1/s1