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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl (E)-3-(3-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl (E)-3-(4-allyloxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-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-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxy-3-methoxy-phenyl)acrylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C26H32N4O6 MolecularWeight: 496.55548

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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)OCC=C)OC)CCC

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O6/c1-5-8-14-30-24-23(25(32)28-26(30)33)29(13-6-2)21(27-24)17-36-22(31)12-10-18-9-11-19(35-15-7-3)20(16-18)34-4/h7,9-12,16H,3,5-6,8,13-15,17H2,1-2,4H3,(H,28,32,33)/b12-10+