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

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(furan-2-yl)prop-2-enoate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl (E)-3-(2-furyl)prop-2-enoate CAS Name: (E)-3-(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-(furan-2-yl)prop-2-enoate Traditional Name: (E)-3-(2-furyl)acrylic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C=CC3=CC=CO3)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)/C=C/C3=CC=CO3)CC

InChI

InChI=1S/C19H22N4O5/c1-3-5-10-23-17-16(18(25)21-19(23)26)22(4-2)14(20-17)12-28-15(24)9-8-13-7-6-11-27-13/h6-9,11H,3-5,10,12H2,1-2H3,(H,21,25,26)/b9-8+