8-(4-chlorophenyl)-1-methyl-9-(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 8-(4-chlorophenyl)-1-methyl-9-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 9-benzyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione CAS Name: 8-(4-chlorophenyl)-1-methyl-9-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 9-benzyl-8-(4-chlorophenyl)-1-methyl-3H-purine-2,6-dione Traditional Name: 9-benzyl-8-(4-chlorophenyl)-1-methyl-xanthine Formula: C19H15ClN4O2 MolecularWeight: 366.801

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(NC1=O)N(C(=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

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