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

Systemtic Name: 8-chloranyl-1,3-bis[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-bis[(4-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-bis[(4-methoxyphenyl)methyl]-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-bis[(4-methoxyphenyl)methyl]purine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-bis(p-anisyl)xanthine Formula: C28H25ClN4O4 MolecularWeight: 516.9755

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)N(C(=N3)Cl)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC4=CC=C(C=C4)OC)N(C(=N3)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4O4/c1-36-22-12-8-20(9-13-22)17-32-25-24(31(27(29)30-25)16-19-6-4-3-5-7-19)26(34)33(28(32)35)18-21-10-14-23(37-2)15-11-21/h3-15H,16-18H2,1-2H3