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

Systemtic Name: N6-(4-ethoxyphenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-ethoxyphenyl)-1-methyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N6-(4-ethoxyphenyl)-1-methyl-N4-(phenylmethyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: benzyl-[1-methyl-6-(p-phenetidino)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC3=C(C=NN3C)C(=N2)NCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC3=C(C=NN3C)C(=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C21H22N6O/c1-3-28-17-11-9-16(10-12-17)24-21-25-19(18-14-23-27(2)20(18)26-21)22-13-15-7-5-4-6-8-15/h4-12,14H,3,13H2,1-2H3,(H2,22,24,25,26)