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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[4-(5-chloranylthiophen-2-yl)phenyl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-N6-[[4-(5-chloro-2-thienyl)phenyl]methyl]-9-isopropyl-purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[4-(5-chloro-2-thiophenyl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[6-[[4-(5-chloro-2-thienyl)benzyl]amino]-9-isopropyl-purin-2-yl]amine Formula: C25H30ClN7S MolecularWeight: 496.0706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=C(S4)Cl)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(C=C3)C4=CC=C(S4)Cl)NC5CCC(CC5)N

InChI

InChI=1S/C25H30ClN7S/c1-15(2)33-14-29-22-23(31-25(32-24(22)33)30-19-9-7-18(27)8-10-19)28-13-16-3-5-17(6-4-16)20-11-12-21(26)34-20/h3-6,11-12,14-15,18-19H,7-10,13,27H2,1-2H3,(H2,28,30,31,32)