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

Systemtic Name: N4-(4-ethoxyphenyl)-1-phenyl-N6-prop-2-enyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine Openeye Name: N6-allyl-N4-(4-ethoxyphenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine-4,6-diamine CAS Name: N4-(4-ethoxyphenyl)-1-phenyl-N6-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethoxyphenyl)-1-phenyl-6-N-prop-2-enylpyrazolo[3,4-d]pyrimidine-4,6-diamine Traditional Name: allyl-[1-phenyl-4-(p-phenetidino)pyrazolo[3,4-d]pyrimidin-6-yl]amine Formula: C22H22N6O MolecularWeight: 386.44968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O/c1-3-14-23-22-26-20(25-16-10-12-18(13-11-16)29-4-2)19-15-24-28(21(19)27-22)17-8-6-5-7-9-17/h3,5-13,15H,1,4,14H2,2H3,(H2,23,25,26,27)