3-butyl-8-(3-methoxy-4-prop-2-enoxy-phenyl)-7-methyl-purine-2,6-dione

Systemtic Name: 3-butyl-8-(3-methoxy-4-prop-2-enoxy-phenyl)-7-methyl-purine-2,6-dione Openeye Name: 8-(4-allyloxy-3-methoxy-phenyl)-3-butyl-7-methyl-purine-2,6-dione CAS Name: 3-butyl-8-(3-methoxy-4-prop-2-enoxyphenyl)-7-methylpurine-2,6-dione IUPAC Name: 3-butyl-8-(3-methoxy-4-prop-2-enoxyphenyl)-7-methylpurine-2,6-dione Traditional Name: 8-(4-allyloxy-3-methoxy-phenyl)-3-butyl-7-methyl-xanthine Formula: C20H24N4O4 MolecularWeight: 384.42896

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c1-5-7-10-24-18-16(19(25)22-20(24)26)23(3)17(21-18)13-8-9-14(28-11-6-2)15(12-13)27-4/h6,8-9,12H,2,5,7,10-11H2,1,3-4H3,(H,22,25,26)