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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (E)-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3-methoxyphenyl)-2-propenoic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl (E)-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-methoxyphenyl)acrylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-4-6-12-26-20-19(21(28)24-22(26)29)25(5-2)17(23-20)14-31-18(27)11-10-15-8-7-9-16(13-15)30-3/h7-11,13H,4-6,12,14H2,1-3H3,(H,24,28,29)/b11-10+