N-(4-butylphenyl)-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: N-(4-butylphenyl)-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-1-(2-chlorophenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-(4-butylphenyl)-1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: (4-butylphenyl)-[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C21H20ClN5 MolecularWeight: 377.87

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC=NC3=C2C=NN3C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN5/c1-2-3-6-15-9-11-16(12-10-15)26-20-17-13-25-27(21(17)24-14-23-20)19-8-5-4-7-18(19)22/h4-5,7-14H,2-3,6H2,1H3,(H,23,24,26)