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

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-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-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-4-6-13-27-21-20(22(29)25-23(27)30)26(12-5-2)18(24-21)15-32-19(28)11-10-16-8-7-9-17(14-16)31-3/h7-11,14H,4-6,12-13,15H2,1-3H3,(H,25,29,30)/b11-10+