8-(4-chlorophenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-chlorophenyl)-7-methyl-purine-2,6-dione CAS Name: 8-(4-chlorophenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-chlorophenyl)-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-8-(4-chlorophenyl)-7-methyl-xanthine Formula: C19H15ClN4O2 MolecularWeight: 366.801

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)Cl)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4O2/c1-23-15-17(21-16(23)13-7-9-14(20)10-8-13)24(19(26)22-18(15)25)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,22,25,26)