N2-(4-azanylcyclohexyl)-N6-[[4-(4-methylthiophen-2-yl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[4-(4-methylthiophen-2-yl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[4-(4-methyl-2-thienyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[4-(4-methyl-2-thiophenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[4-(4-methylthiophen-2-yl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[4-(4-methyl-2-thienyl)benzyl]amino]purin-2-yl]amine Formula: C26H33N7S MolecularWeight: 475.65212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C2=CC=C(C=C2)CNC3=NC(=NC4=C3N=CN4C(C)C)NC5CCC(CC5)N

Isomeric SMILES

CC1=CSC(=C1)C2=CC=C(C=C2)CNC3=NC(=NC4=C3N=CN4C(C)C)NC5CCC(CC5)N

InChI

InChI=1S/C26H33N7S/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-21-10-8-20(27)9-11-21)28-13-18-4-6-19(7-5-18)22-12-17(3)14-34-22/h4-7,12,14-16,20-21H,8-11,13,27H2,1-3H3,(H2,28,30,31,32)