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

Systemtic Name: N4-(4-ethoxyphenyl)-N6-(3-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N4-(4-ethoxyphenyl)-N6-isopentyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-N6-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-6-N-(3-methylbutyl)-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: isoamyl-[1-phenyl-4-(p-phenetidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C24H28N6O MolecularWeight: 416.51872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCCC(C)C

InChI

InChI=1S/C24H28N6O/c1-4-31-20-12-10-18(11-13-20)27-22-21-16-26-30(19-8-6-5-7-9-19)23(21)29-24(28-22)25-15-14-17(2)3/h5-13,16-17H,4,14-15H2,1-3H3,(H2,25,27,28,29)