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

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

Isomeric SMILES

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

InChI

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