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

Systemtic Name: N4-(4-methoxyphenyl)-N6-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-methoxyphenyl)-N6-(3-pyridylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-N6-(3-pyridinylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-6-N-(pyridin-3-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: (4-methoxyphenyl)-[6-(3-pyridylmethylamino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C18H17N7O MolecularWeight: 347.37388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CN=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CN=CC=C4

InChI

InChI=1S/C18H17N7O/c1-26-14-6-4-13(5-7-14)22-16-15-11-21-25-17(15)24-18(23-16)20-10-12-3-2-8-19-9-12/h2-9,11H,10H2,1H3,(H3,20,21,22,23,24,25)