5-[6-azanyl-2-(3,3-dicyclohexyl-3-oxidanyl-prop-1-ynyl)purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxylic acid

Systemtic Name: 5-[6-azanyl-2-(3,3-dicyclohexyl-3-oxidanyl-prop-1-ynyl)purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxylic acid Openeye Name: 5-[6-amino-2-(3,3-dicyclohexyl-3-hydroxy-prop-1-ynyl)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid CAS Name: 5-[6-amino-2-(3,3-dicyclohexyl-3-hydroxyprop-1-ynyl)-9-purinyl]-3,4-dihydroxy-2-oxolanecarboxylic acid IUPAC Name: 5-[6-amino-2-(3,3-dicyclohexyl-3-hydroxyprop-1-ynyl)purin-9-yl]-3,4-dihydroxyoxolane-2-carboxylic acid Traditional Name: 5-[6-amino-2-(3,3-dicyclohexyl-3-hydroxy-prop-1-ynyl)purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxylic acid Formula: C25H33N5O6 MolecularWeight: 499.55942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)C(=O)O)O)O)(C5CCCCC5)O

Isomeric SMILES

C1CCC(CC1)C(C#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)C(=O)O)O)O)(C5CCCCC5)O

InChI

InChI=1S/C25H33N5O6/c26-21-17-22(30(13-27-17)23-19(32)18(31)20(36-23)24(33)34)29-16(28-21)11-12-25(35,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h13-15,18-20,23,31-32,35H,1-10H2,(H,33,34)(H2,26,28,29)