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

Systemtic Name: 4-[3-(6-azanyl-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-(6-amino-9-prop-2-ynyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylic acid CAS Name: 4-[3-(6-amino-9-prop-2-ynyl-2-purinyl)prop-2-ynyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-(6-amino-9-prop-2-ynylpurin-2-yl)prop-2-ynyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-(6-amino-9-propargyl-purin-2-yl)prop-2-ynyl]cyclohexanecarboxylic acid Formula: C18H19N5O2 MolecularWeight: 337.37576

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCC(CC3)C(=O)O

Isomeric SMILES

C#CCN1C=NC2=C1N=C(N=C2N)C#CCC3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H19N5O2/c1-2-10-23-11-20-15-16(19)21-14(22-17(15)23)5-3-4-12-6-8-13(9-7-12)18(24)25/h1,11-13H,4,6-10H2,(H,24,25)(H2,19,21,22)