N6-butyl-N4-(4-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N6-butyl-N4-(4-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-butyl-N4-(4-methoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-butyl-N4-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 6-N-butyl-4-N-(4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: butyl-[1-methyl-4-(p-anisidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCNC1=NC2=C(C=NN2C)C(=N1)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H22N6O/c1-4-5-10-18-17-21-15(14-11-19-23(2)16(14)22-17)20-12-6-8-13(24-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H2,18,20,21,22)