2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-oxidanylcyclohexyl)amino]purin-9-yl]ethanamide

Systemtic Name: 2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-oxidanylcyclohexyl)amino]purin-9-yl]ethanamide Openeye Name: 2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-hydroxycyclohexyl)amino]purin-9-yl]acetamide CAS Name: 2-[6-(1-cyclohexa-1,5-dienylamino)-2-[(4-hydroxycyclohexyl)amino]-9-purinyl]acetamide IUPAC Name: 2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-hydroxycyclohexyl)amino]purin-9-yl]acetamide Traditional Name: 2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-hydroxycyclohexyl)amino]purin-9-yl]acetamide Formula: C19H25N7O2 MolecularWeight: 383.4475

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC(=O)N)NC4CCC(CC4)O

Isomeric SMILES

C1CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC(=O)N)NC4CCC(CC4)O

InChI

InChI=1S/C19H25N7O2/c20-15(28)10-26-11-21-16-17(22-12-4-2-1-3-5-12)24-19(25-18(16)26)23-13-6-8-14(27)9-7-13/h2,4-5,11,13-14,27H,1,3,6-10H2,(H2,20,28)(H2,22,23,24,25)