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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (E)-3-(5-methyl-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-methyl-2-furanyl)-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-(5-methylfuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-methyl-2-furyl)acrylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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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(O3)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C/C3=CC=C(O3)C)CC

InChI

InChI=1S/C20H24N4O5/c1-4-6-11-24-18-17(19(26)22-20(24)27)23(5-2)15(21-18)12-28-16(25)10-9-14-8-7-13(3)29-14/h7-10H,4-6,11-12H2,1-3H3,(H,22,26,27)/b10-9+