8-bromanyl-7-methyl-1,3-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-bromanyl-7-methyl-1,3-bis(phenylmethyl)purine-2,6-dione Openeye Name: 1,3-dibenzyl-8-bromo-7-methyl-purine-2,6-dione CAS Name: 8-bromo-7-methyl-1,3-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 1,3-dibenzyl-8-bromo-7-methylpurine-2,6-dione Traditional Name: 1,3-dibenzyl-8-bromo-7-methyl-xanthine Formula: C20H17BrN4O2 MolecularWeight: 425.27858

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H17BrN4O2/c1-23-16-17(22-19(23)21)24(12-14-8-4-2-5-9-14)20(27)25(18(16)26)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3