[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C26H34N4O6 MolecularWeight: 498.57136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC3=CC(=C(C=C3)OCCCC)OCC)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C/C3=CC(=C(C=C3)OCCCC)OCC)C

InChI

InChI=1S/C26H34N4O6/c1-5-8-14-30-24-23(25(32)28-26(30)33)29(4)21(27-24)17-36-22(31)13-11-18-10-12-19(35-15-9-6-2)20(16-18)34-7-3/h10-13,16H,5-9,14-15,17H2,1-4H3,(H,28,32,33)/b13-11+