3-butyl-7-[(2-methoxyphenyl)methyl]-8-(4-prop-2-enoxyphenyl)purine-2,6-dione

Systemtic Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-(4-prop-2-enoxyphenyl)purine-2,6-dione Openeye Name: 8-(4-allyloxyphenyl)-3-butyl-7-[(2-methoxyphenyl)methyl]purine-2,6-dione CAS Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-(4-prop-2-enoxyphenyl)purine-2,6-dione IUPAC Name: 3-butyl-7-[(2-methoxyphenyl)methyl]-8-(4-prop-2-enoxyphenyl)purine-2,6-dione Traditional Name: 8-(4-allyloxyphenyl)-3-butyl-7-o-anisyl-xanthine Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OCC=C)CC4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=C(C=C3)OCC=C)CC4=CC=CC=C4OC

InChI

InChI=1S/C26H28N4O4/c1-4-6-15-29-24-22(25(31)28-26(29)32)30(17-19-9-7-8-10-21(19)33-3)23(27-24)18-11-13-20(14-12-18)34-16-5-2/h5,7-14H,2,4,6,15-17H2,1,3H3,(H,28,31,32)