4-[7-(oxan-2-yl)-2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-yl]-4-oxidanyl-cyclohexane-1-carboxylic acid

Systemtic Name: 4-[7-(oxan-2-yl)-2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-yl]-4-oxidanyl-cyclohexane-1-carboxylic acid Openeye Name: 4-(2,6-dioxo-1,3-dipropyl-7-tetrahydropyran-2-yl-purin-8-yl)-4-hydroxy-cyclohexanecarboxylic acid CAS Name: 4-hydroxy-4-[7-(2-oxanyl)-2,6-dioxo-1,3-dipropyl-8-purinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-hydroxy-4-[7-(oxan-2-yl)-2,6-dioxo-1,3-dipropylpurin-8-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7-tetrahydropyran-2-yl-purin-8-yl)-4-hydroxy-cyclohexanecarboxylic acid Formula: C23H34N4O6 MolecularWeight: 462.53926

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3(CCC(CC3)C(=O)O)O)C4CCCCO4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3(CCC(CC3)C(=O)O)O)C4CCCCO4

InChI

InChI=1S/C23H34N4O6/c1-3-12-25-18-17(19(28)26(13-4-2)22(25)31)27(16-7-5-6-14-33-16)21(24-18)23(32)10-8-15(9-11-23)20(29)30/h15-16,32H,3-14H2,1-2H3,(H,29,30)