1-[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione Openeye Name: 3,7-dibenzyl-1-[2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl]purine-2,6-dione CAS Name: 1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-3,7-bis(phenylmethyl)purine-2,6-dione IUPAC Name: 3,7-dibenzyl-1-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 3,7-dibenzyl-1-[2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl]xanthine Formula: C28H23ClN4O4 MolecularWeight: 514.95962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H23ClN4O4/c1-37-24-13-12-21(14-22(24)29)23(34)17-33-27(35)25-26(30-18-31(25)15-19-8-4-2-5-9-19)32(28(33)36)16-20-10-6-3-7-11-20/h2-14,18H,15-17H2,1H3