N-(4-methoxyphenyl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(4-methoxyphenyl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-methoxyphenyl)-6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-methoxyphenyl)-6-methyl-1-phenethyl-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-methoxyphenyl)-6-methyl-1-phenethylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-methoxyphenyl)-(6-methyl-1-phenethyl-pyrazolo[3,4-d]pyrimidin-4-yl)amine Formula: C21H21N5O MolecularWeight: 359.42434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2CCC3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC2=C(C=NN2CCC3=CC=CC=C3)C(=N1)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H21N5O/c1-15-23-20(25-17-8-10-18(27-2)11-9-17)19-14-22-26(21(19)24-15)13-12-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,23,24,25)