N6-(3-imidazol-1-ylpropyl)-N4-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-(3-imidazol-1-ylpropyl)-N4-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-(3-imidazol-1-ylpropyl)-N4-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-[3-(1-imidazolyl)propyl]-N4-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-(3-imidazol-1-ylpropyl)-4-N-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: 3-imidazol-1-ylpropyl-[4-(p-anisidino)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C18H20N8O MolecularWeight: 364.4044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCCCN4C=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCCCN4C=CN=C4

InChI

InChI=1S/C18H20N8O/c1-27-14-5-3-13(4-6-14)22-16-15-11-21-25-17(15)24-18(23-16)20-7-2-9-26-10-8-19-12-26/h3-6,8,10-12H,2,7,9H2,1H3,(H3,20,21,22,23,24,25)