(E)-3-[4-(3-methylbutan-2-yl)-2,6-bis(oxidanylidene)-4-(7H-purin-8-yl)cyclohexyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-(3-methylbutan-2-yl)-2,6-bis(oxidanylidene)-4-(7H-purin-8-yl)cyclohexyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(1,2-dimethylpropyl)-2,6-dioxo-4-(7H-purin-8-yl)cyclohexyl]prop-2-enoic acid CAS Name: (E)-3-[4-(3-methylbutan-2-yl)-2,6-dioxo-4-(7H-purin-8-yl)cyclohexyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(3-methylbutan-2-yl)-2,6-dioxo-4-(7H-purin-8-yl)cyclohexyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(1,2-dimethylpropyl)-2,6-diketo-4-(7H-purin-8-yl)cyclohexyl]acrylic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C1(CC(=O)C(C(=O)C1)C=CC(=O)O)C2=NC3=NC=NC=C3N2

Isomeric SMILES

CC(C)C(C)C1(CC(=O)C(C(=O)C1)/C=C/C(=O)O)C2=NC3=NC=NC=C3N2

InChI

InChI=1S/C19H22N4O4/c1-10(2)11(3)19(18-22-13-8-20-9-21-17(13)23-18)6-14(24)12(15(25)7-19)4-5-16(26)27/h4-5,8-12H,6-7H2,1-3H3,(H,26,27)(H,20,21,22,23)/b5-4+