4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-(6-azanyl-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylic acid CAS Name: 4-[3-(6-amino-9-cyclopentyl-2-purinyl)prop-2-ynyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(6-amino-9-cyclopentylpurin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(6-amino-9-cyclopentyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylic acid Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3N)C#CCC4CCC(CC4)C(=O)O

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3N)C#CCC4CCC(CC4)C(=O)O

InChI

InChI=1S/C20H25N5O2/c21-18-17-19(25(12-22-17)15-5-1-2-6-15)24-16(23-18)7-3-4-13-8-10-14(11-9-13)20(26)27/h12-15H,1-2,4-6,8-11H2,(H,26,27)(H2,21,23,24)