5,5-bis(cyclohexylmethyl)-2,6-bis(oxidanylidene)-1-(7H-purin-8-yl)cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 5,5-bis(cyclohexylmethyl)-2,6-bis(oxidanylidene)-1-(7H-purin-8-yl)cyclohex-3-ene-1-carboxylic acid Openeye Name: 5,5-bis(cyclohexylmethyl)-2,6-dioxo-1-(7H-purin-8-yl)cyclohex-3-ene-1-carboxylic acid CAS Name: 5,5-bis(cyclohexylmethyl)-2,6-dioxo-1-(7H-purin-8-yl)-1-cyclohex-3-enecarboxylic acid IUPAC Name: 5,5-bis(cyclohexylmethyl)-2,6-dioxo-1-(7H-purin-8-yl)cyclohex-3-ene-1-carboxylic acid Traditional Name: 5,5-bis(cyclohexylmethyl)-2,6-diketo-1-(7H-purin-8-yl)cyclohex-3-ene-1-carboxylic acid Formula: C26H32N4O4 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2(C=CC(=O)C(C2=O)(C3=NC4=NC=NC=C4N3)C(=O)O)CC5CCCCC5

Isomeric SMILES

C1CCC(CC1)CC2(C=CC(=O)C(C2=O)(C3=NC4=NC=NC=C4N3)C(=O)O)CC5CCCCC5

InChI

InChI=1S/C26H32N4O4/c31-20-11-12-25(13-17-7-3-1-4-8-17,14-18-9-5-2-6-10-18)22(32)26(20,24(33)34)23-29-19-15-27-16-28-21(19)30-23/h11-12,15-18H,1-10,13-14H2,(H,33,34)(H,27,28,29,30)