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

Systemtic Name: N2-(4-methylcyclohexyl)-9-propan-2-yl-N6-[2-(4-thiophen-3-ylphenyl)ethyl]purine-2,6-diamine Openeye Name: 9-isopropyl-N2-(4-methylcyclohexyl)-N6-[2-[4-(3-thienyl)phenyl]ethyl]purine-2,6-diamine CAS Name: N2-(4-methylcyclohexyl)-9-propan-2-yl-N6-[2-[4-(3-thiophenyl)phenyl]ethyl]purine-2,6-diamine IUPAC Name: 2-N-(4-methylcyclohexyl)-9-propan-2-yl-6-N-[2-(4-thiophen-3-ylphenyl)ethyl]purine-2,6-diamine Traditional Name: [9-isopropyl-2-[(4-methylcyclohexyl)amino]purin-6-yl]-[2-[4-(3-thienyl)phenyl]ethyl]amine Formula: C27H34N6S MolecularWeight: 474.66406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCCC4=CC=C(C=C4)C5=CSC=C5)N=CN3C(C)C

Isomeric SMILES

CC1CCC(CC1)NC2=NC3=C(C(=N2)NCCC4=CC=C(C=C4)C5=CSC=C5)N=CN3C(C)C

InChI

InChI=1S/C27H34N6S/c1-18(2)33-17-29-24-25(31-27(32-26(24)33)30-23-10-4-19(3)5-11-23)28-14-12-20-6-8-21(9-7-20)22-13-15-34-16-22/h6-9,13,15-19,23H,4-5,10-12,14H2,1-3H3,(H2,28,30,31,32)