8-(4-methoxyphenyl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-methoxyphenyl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-methoxyphenyl)-7-(3-methoxypropyl)purine-2,6-dione CAS Name: 8-(4-methoxyphenyl)-7-(3-methoxypropyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-methoxyphenyl)-7-(3-methoxypropyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(4-methoxyphenyl)-7-(3-methoxypropyl)xanthine Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

Isomeric SMILES

COCCCN1C2=C(N=C1C3=CC=C(C=C3)OC)N(C(=O)NC2=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O4/c1-30-14-6-13-26-19-21(24-20(26)17-9-11-18(31-2)12-10-17)27(23(29)25-22(19)28)15-16-7-4-3-5-8-16/h3-5,7-12H,6,13-15H2,1-2H3,(H,25,28,29)