(E)-3-[1,3-dibutyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1,3-dibutyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]prop-2-enoic acid Openeye Name: (E)-3-(1,3-dibutyl-7-methyl-2,6-dioxo-purin-8-yl)prop-2-enoic acid CAS Name: (E)-3-(1,3-dibutyl-7-methyl-2,6-dioxo-8-purinyl)-2-propenoic acid IUPAC Name: (E)-3-(1,3-dibutyl-7-methyl-2,6-dioxopurin-8-yl)prop-2-enoic acid Traditional Name: (E)-3-(1,3-dibutyl-2,6-diketo-7-methyl-purin-8-yl)acrylic acid Formula: C17H24N4O4 MolecularWeight: 348.39686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)C=CC(=O)O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C(=N2)/C=C/C(=O)O)C

InChI

InChI=1S/C17H24N4O4/c1-4-6-10-20-15-14(16(24)21(17(20)25)11-7-5-2)19(3)12(18-15)8-9-13(22)23/h8-9H,4-7,10-11H2,1-3H3,(H,22,23)/b9-8+