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

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl (E)-3-(furan-2-yl)prop-2-enoate Openeye Name: (3-butyl-7-methyl-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-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate Traditional Name: (E)-3-(2-furyl)acrylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5/c1-3-4-9-22-16-15(17(24)20-18(22)25)21(2)13(19-16)11-27-14(23)8-7-12-6-5-10-26-12/h5-8,10H,3-4,9,11H2,1-2H3,(H,20,24,25)/b8-7+