N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[2-(4-thiophen-3-ylphenyl)ethyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[2-(4-thiophen-3-ylphenyl)ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[2-[4-(3-thienyl)phenyl]ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-propan-2-yl-N6-[2-[4-(3-thiophenyl)phenyl]ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[2-(4-thiophen-3-ylphenyl)ethyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[2-[4-(3-thienyl)phenyl]ethylamino]purin-2-yl]amine Formula: C26H33N7S MolecularWeight: 475.65212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)C4=CSC=C4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCCC3=CC=C(C=C3)C4=CSC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C26H33N7S/c1-17(2)33-16-29-23-24(31-26(32-25(23)33)30-22-9-7-21(27)8-10-22)28-13-11-18-3-5-19(6-4-18)20-12-14-34-15-20/h3-6,12,14-17,21-22H,7-11,13,27H2,1-2H3,(H2,28,30,31,32)