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

Systemtic Name: 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(4-prop-2-enoxyphenyl)purine-2,6-dione Openeye Name: 8-(4-allyloxyphenyl)-3-benzyl-7-(3-methoxypropyl)purine-2,6-dione CAS Name: 7-(3-methoxypropyl)-3-(phenylmethyl)-8-(4-prop-2-enoxyphenyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(3-methoxypropyl)-8-(4-prop-2-enoxyphenyl)purine-2,6-dione Traditional Name: 8-(4-allyloxyphenyl)-3-benzyl-7-(3-methoxypropyl)xanthine Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c1-3-15-33-20-12-10-19(11-13-20)22-26-23-21(28(22)14-7-16-32-2)24(30)27-25(31)29(23)17-18-8-5-4-6-9-18/h3-6,8-13H,1,7,14-17H2,2H3,(H,27,30,31)