9-[6-[cyclohexyl(prop-2-enyl)amino]purin-9-yl]nonanoic acid

Systemtic Name: 9-[6-[cyclohexyl(prop-2-enyl)amino]purin-9-yl]nonanoic acid Openeye Name: 9-[6-[allyl(cyclohexyl)amino]purin-9-yl]nonanoic acid CAS Name: 9-[6-[cyclohexyl(prop-2-enyl)amino]-9-purinyl]nonanoic acid IUPAC Name: 9-[6-[cyclohexyl(prop-2-enyl)amino]purin-9-yl]nonanoic acid Traditional Name: 9-[6-[allyl(cyclohexyl)amino]purin-9-yl]pelargonic acid Formula: C23H35N5O2 MolecularWeight: 413.5563

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCCCC1)C2=NC=NC3=C2N=CN3CCCCCCCCC(=O)O

Isomeric SMILES

C=CCN(C1CCCCC1)C2=NC=NC3=C2N=CN3CCCCCCCCC(=O)O

InChI

InChI=1S/C23H35N5O2/c1-2-15-28(19-12-8-7-9-13-19)23-21-22(24-17-25-23)27(18-26-21)16-11-6-4-3-5-10-14-20(29)30/h2,17-19H,1,3-16H2,(H,29,30)