N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[1-(4-thiophen-3-ylphenyl)ethyl]purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-9-propan-2-yl-N6-[1-(4-thiophen-3-ylphenyl)ethyl]purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[1-[4-(3-thienyl)phenyl]ethyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-9-propan-2-yl-N6-[1-[4-(3-thiophenyl)phenyl]ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-9-propan-2-yl-6-N-[1-(4-thiophen-3-ylphenyl)ethyl]purine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[1-[4-(3-thienyl)phenyl]ethylamino]purin-2-yl]amine Formula: C26H33N7S MolecularWeight: 475.65212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC(C)C3=CC=C(C=C3)C4=CSC=C4)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC(C)C3=CC=C(C=C3)C4=CSC=C4)NC5CCC(CC5)N

InChI

InChI=1S/C26H33N7S/c1-16(2)33-15-28-23-24(31-26(32-25(23)33)30-22-10-8-21(27)9-11-22)29-17(3)18-4-6-19(7-5-18)20-12-13-34-14-20/h4-7,12-17,21-22H,8-11,27H2,1-3H3,(H2,29,30,31,32)