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

Systemtic Name: 2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-oxidanylcyclohexyl)amino]purin-9-yl]propanamide Openeye Name: 2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-hydroxycyclohexyl)amino]purin-9-yl]propanamide CAS Name: 2-[6-(1-cyclohexa-1,5-dienylamino)-2-[(4-hydroxycyclohexyl)amino]-9-purinyl]propanamide IUPAC Name: 2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-hydroxycyclohexyl)amino]purin-9-yl]propanamide Traditional Name: 2-[6-(cyclohexa-1,5-dien-1-ylamino)-2-[(4-hydroxycyclohexyl)amino]purin-9-yl]propionamide Formula: C20H27N7O2 MolecularWeight: 397.47408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)N1C=NC2=C1N=C(N=C2NC3=CCCC=C3)NC4CCC(CC4)O

Isomeric SMILES

CC(C(=O)N)N1C=NC2=C1N=C(N=C2NC3=CCCC=C3)NC4CCC(CC4)O

InChI

InChI=1S/C20H27N7O2/c1-12(17(21)29)27-11-22-16-18(23-13-5-3-2-4-6-13)25-20(26-19(16)27)24-14-7-9-15(28)10-8-14/h3,5-6,11-12,14-15,28H,2,4,7-10H2,1H3,(H2,21,29)(H2,23,24,25,26)