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

Systemtic Name: N2-(4-methylcyclohexyl)-9-propan-2-yl-N6-[(3-thiophen-3-ylphenyl)methyl]purine-2,6-diamine Openeye Name: 9-isopropyl-N2-(4-methylcyclohexyl)-N6-[[3-(3-thienyl)phenyl]methyl]purine-2,6-diamine CAS Name: N2-(4-methylcyclohexyl)-9-propan-2-yl-N6-[[3-(3-thiophenyl)phenyl]methyl]purine-2,6-diamine IUPAC Name: 2-N-(4-methylcyclohexyl)-9-propan-2-yl-6-N-[(3-thiophen-3-ylphenyl)methyl]purine-2,6-diamine Traditional Name: [9-isopropyl-2-[(4-methylcyclohexyl)amino]purin-6-yl]-[3-(3-thienyl)benzyl]amine Formula: C26H32N6S MolecularWeight: 460.63748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=CC(=C4)C5=CSC=C5)N=CN3C(C)C

Isomeric SMILES

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCC4=CC=CC(=C4)C5=CSC=C5)N=CN3C(C)C

InChI

InChI=1S/C26H32N6S/c1-17(2)32-16-28-23-24(27-14-19-5-4-6-20(13-19)21-11-12-33-15-21)30-26(31-25(23)32)29-22-9-7-18(3)8-10-22/h4-6,11-13,15-18,22H,7-10,14H2,1-3H3,(H2,27,29,30,31)