N2-(4-azanylcyclohexyl)-N6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-9-propan-2-yl-purine-2,6-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]purin-2-yl]amine Formula: C23H29N9S MolecularWeight: 463.60166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N9S/c1-14(2)32-13-26-19-20(25-12-18-30-31-22(33-18)15-6-4-3-5-7-15)28-23(29-21(19)32)27-17-10-8-16(24)9-11-17/h3-7,13-14,16-17H,8-12,24H2,1-2H3,(H2,25,27,28,29)