1-[(3-chlorophenyl)methyl]-8-phenyl-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-[(3-chlorophenyl)methyl]-8-phenyl-3,7-dihydropurine-2,6-dione Openeye Name: 1-[(3-chlorophenyl)methyl]-8-phenyl-3,7-dihydropurine-2,6-dione CAS Name: 1-[(3-chlorophenyl)methyl]-8-phenyl-3,7-dihydropurine-2,6-dione IUPAC Name: 1-[(3-chlorophenyl)methyl]-8-phenyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-(3-chlorobenzyl)-8-phenyl-7H-xanthine Formula: C18H13ClN4O2 MolecularWeight: 352.77442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C18H13ClN4O2/c19-13-8-4-5-11(9-13)10-23-17(24)14-16(22-18(23)25)21-15(20-14)12-6-2-1-3-7-12/h1-9H,10H2,(H,20,21)(H,22,25)