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

Systemtic Name: (E)-3-[1,3-dibutyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]prop-2-enoic acid Openeye Name: (E)-3-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)prop-2-enoic acid CAS Name: (E)-3-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)-2-propenoic acid IUPAC Name: (E)-3-(1,3-dibutyl-2,6-dioxo-7H-purin-8-yl)prop-2-enoic acid Traditional Name: (E)-3-(1,3-dibutyl-2,6-diketo-7H-purin-8-yl)acrylic acid Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4/c1-3-5-9-19-14-13(17-11(18-14)7-8-12(21)22)15(23)20(16(19)24)10-6-4-2/h7-8H,3-6,9-10H2,1-2H3,(H,17,18)(H,21,22)/b8-7+