1-[(4-chlorophenyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[(4-chlorophenyl)methyl]purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[(4-chlorophenyl)methyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-(4-chlorobenzyl)xanthine Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN4O2/c27-22-13-11-21(12-14-22)17-31-25(32)23-24(28-18-29(23)15-19-7-3-1-4-8-19)30(26(31)33)16-20-9-5-2-6-10-20/h1-14,18H,15-17H2