N2-(4-azanylcyclohexyl)-N4-[(3-iodanylphenyl)methyl]-7-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine-2,4-diamine

Systemtic Name: N2-(4-azanylcyclohexyl)-N4-[(3-iodanylphenyl)methyl]-7-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine-2,4-diamine Openeye Name: N2-(4-aminocyclohexyl)-N4-[(3-iodophenyl)methyl]-7-isopropyl-7H-pyrrolo[3,2-d]pyrimidine-2,4-diamine CAS Name: N2-(4-aminocyclohexyl)-N4-[(3-iodophenyl)methyl]-7-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine-2,4-diamine IUPAC Name: 2-N-(4-aminocyclohexyl)-4-N-[(3-iodophenyl)methyl]-7-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)-[4-[(3-iodobenzyl)amino]-7-isopropyl-7H-pyrrolo[3,2-d]pyrimidin-2-yl]amine Formula: C22H29IN6 MolecularWeight: 504.41033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)NC4CCC(CC4)N

Isomeric SMILES

CC(C)C1C=NC2=C1N=C(N=C2NCC3=CC(=CC=C3)I)NC4CCC(CC4)N

InChI

InChI=1S/C22H29IN6/c1-13(2)18-12-25-20-19(18)28-22(27-17-8-6-16(24)7-9-17)29-21(20)26-11-14-4-3-5-15(23)10-14/h3-5,10,12-13,16-18H,6-9,11,24H2,1-2H3,(H2,26,27,28,29)