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

Systemtic Name: N2-(4-azanylcyclohexyl)-N6-[(2-methyl-1H-pyrrol-3-yl)methyl]-9-propan-2-yl-purine-2,6-diamine Openeye Name: N2-(4-aminocyclohexyl)-9-isopropyl-N6-[(2-methyl-1H-pyrrol-3-yl)methyl]purine-2,6-diamine CAS Name: N2-(4-aminocyclohexyl)-N6-[(2-methyl-1H-pyrrol-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-6-N-[(2-methyl-1H-pyrrol-3-yl)methyl]-9-propan-2-ylpurine-2,6-diamine Traditional Name: (4-aminocyclohexyl)-[9-isopropyl-6-[(2-methyl-1H-pyrrol-3-yl)methylamino]purin-2-yl]amine Formula: C20H30N8 MolecularWeight: 382.5058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN1)CNC2=NC(=NC3=C2N=CN3C(C)C)NC4CCC(CC4)N

Isomeric SMILES

CC1=C(C=CN1)CNC2=NC(=NC3=C2N=CN3C(C)C)NC4CCC(CC4)N

InChI

InChI=1S/C20H30N8/c1-12(2)28-11-24-17-18(23-10-14-8-9-22-13(14)3)26-20(27-19(17)28)25-16-6-4-15(21)5-7-16/h8-9,11-12,15-16,22H,4-7,10,21H2,1-3H3,(H2,23,25,26,27)