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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(5-phenylthiophen-3-yl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[(5-phenyl-3-thienyl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(5-phenyl-3-thiophenyl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(5-phenylthiophen-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[(5-phenyl-3-thienyl)methylamino]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=CSC(=C3)C4=CC=CC=C4)NC5CCC(CC5)N

Isomeric SMILES

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

InChI

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