N5-(4-azanylcyclohexyl)-N7-(4-ethoxyphenyl)-3-iodanyl-pyrazolo[1,5-a]pyrimidine-5,7-diamine

Systemtic Name: N5-(4-azanylcyclohexyl)-N7-(4-ethoxyphenyl)-3-iodanyl-pyrazolo[1,5-a]pyrimidine-5,7-diamine Openeye Name: N5-(4-aminocyclohexyl)-N7-(4-ethoxyphenyl)-3-iodo-pyrazolo[1,5-a]pyrimidine-5,7-diamine CAS Name: N5-(4-aminocyclohexyl)-N7-(4-ethoxyphenyl)-3-iodopyrazolo[1,5-a]pyrimidine-5,7-diamine IUPAC Name: 5-N-(4-aminocyclohexyl)-7-N-(4-ethoxyphenyl)-3-iodopyrazolo[1,5-a]pyrimidine-5,7-diamine Traditional Name: (4-aminocyclohexyl)-[3-iodo-7-(p-phenetidino)pyrazolo[1,5-a]pyrimidin-5-yl]amine Formula: C20H25IN6O MolecularWeight: 492.35657

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=CC(=NC3=C(C=NN23)I)NC4CCC(CC4)N

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=CC(=NC3=C(C=NN23)I)NC4CCC(CC4)N

InChI

InChI=1S/C20H25IN6O/c1-2-28-16-9-7-15(8-10-16)25-19-11-18(24-14-5-3-13(22)4-6-14)26-20-17(21)12-23-27(19)20/h7-14,25H,2-6,22H2,1H3,(H,24,26)