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

Systemtic Name: N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[(4-thiophen-2-ylphenyl)methyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[4-(2-thienyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-propan-2-yl-N6-[(4-thiophen-2-ylphenyl)methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[(4-thiophen-2-ylphenyl)methyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[4-(2-thienyl)benzyl]amino]purin-2-yl]amine Formula: C25H31N7S MolecularWeight: 461.62554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CS4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=CS4)NC5CCC(CC5)N

InChI

InChI=1S/C25H31N7S/c1-16(2)32-15-28-22-23(27-14-17-5-7-18(8-6-17)21-4-3-13-33-21)30-25(31-24(22)32)29-20-11-9-19(26)10-12-20/h3-8,13,15-16,19-20H,9-12,14,26H2,1-2H3,(H2,27,29,30,31)