N4-(4-methoxyphenyl)-1-phenyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine

Systemtic Name: N4-(4-methoxyphenyl)-1-phenyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(4-methoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-methoxyphenyl)-1-phenyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-methoxyphenyl)-1-phenyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[4-(p-anisidino)-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C21H20N6O MolecularWeight: 372.4231

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC=C

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)NCC=C

InChI

InChI=1S/C21H20N6O/c1-3-13-22-21-25-19(24-15-9-11-17(28-2)12-10-15)18-14-23-27(20(18)26-21)16-7-5-4-6-8-16/h3-12,14H,1,13H2,2H3,(H2,22,24,25,26)