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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[[5-(3-methoxyphenyl)thiophen-2-yl]methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[[5-(3-methoxyphenyl)-2-thienyl]methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[[5-(3-methoxyphenyl)-2-thiophenyl]methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[[5-(3-methoxyphenyl)thiophen-2-yl]methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[[5-(3-methoxyphenyl)-2-thienyl]methylamino]purin-2-yl]amine Formula: C26H33N7OS MolecularWeight: 491.65152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(S3)C4=CC(=CC=C4)OC)NC5CCC(CC5)N

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=C(S3)C4=CC(=CC=C4)OC)NC5CCC(CC5)N

InChI

InChI=1S/C26H33N7OS/c1-16(2)33-15-29-23-24(31-26(32-25(23)33)30-19-9-7-18(27)8-10-19)28-14-21-11-12-22(35-21)17-5-4-6-20(13-17)34-3/h4-6,11-13,15-16,18-19H,7-10,14,27H2,1-3H3,(H2,28,30,31,32)