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

Systemtic Name: 1-[2-(3-chlorophenyl)-2-oxidanylidene-ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[2-(3-chlorophenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-[2-(3-chlorophenyl)-2-oxoethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[2-(3-chlorophenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[2-(3-chlorophenyl)-2-keto-ethyl]xanthine Formula: C27H21ClN4O3 MolecularWeight: 484.93364

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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)CC(=O)C5=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H21ClN4O3/c28-22-13-7-12-21(14-22)23(33)17-32-26(34)24-25(29-18-30(24)15-19-8-3-1-4-9-19)31(27(32)35)16-20-10-5-2-6-11-20/h1-14,18H,15-17H2