8-bromanyl-1,3-dimethyl-9-[(4-phenylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(4-phenylphenyl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[(4-phenylphenyl)methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(4-phenylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(4-phenylphenyl)methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-(4-phenylbenzyl)xanthine Formula: C20H17BrN4O2 MolecularWeight: 425.27858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C20H17BrN4O2/c1-23-17-16(18(26)24(2)20(23)27)22-19(21)25(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3