N2-(4-azanylcyclohexyl)-N6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[5-(m-tolyl)-2-thienyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[5-(3-methylphenyl)-2-thiophenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[5-(3-methylphenyl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[5-(m-tolyl)-2-thienyl]methylamino]purin-2-yl]amine Formula: C26H33N7S MolecularWeight: 475.65212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(S2)CNC3=NC(=NC4=C3N=CN4C(C)C)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(S2)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)30-20-9-7-19(27)8-10-20)28-14-21-11-12-22(34-21)18-6-4-5-17(3)13-18/h4-6,11-13,15-16,19-20H,7-10,14,27H2,1-3H3,(H2,28,30,31,32)