[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl (E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl (E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl (E)-3-(2-methoxy-5-methyl-phenyl)prop-2-enoate CAS Name: (E)-3-(2-methoxy-5-methylphenyl)-2-propenoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl (E)-3-(2-methoxy-5-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(2-methoxy-5-methyl-phenyl)acrylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC3=C(C=CC(=C3)C)OC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C/C3=C(C=CC(=C3)C)OC)CCC

InChI

InChI=1S/C24H30N4O5/c1-5-7-13-28-22-21(23(30)26-24(28)31)27(12-6-2)19(25-22)15-33-20(29)11-9-17-14-16(3)8-10-18(17)32-4/h8-11,14H,5-7,12-13,15H2,1-4H3,(H,26,30,31)/b11-9+