3-(4-chlorophenyl)-2,5-dimethyl-N-undecyl-pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-(4-chlorophenyl)-2,5-dimethyl-N-undecyl-pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-(4-chlorophenyl)-2,5-dimethyl-N-undecyl-pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-(4-chlorophenyl)-2,5-dimethyl-N-undecyl-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-(4-chlorophenyl)-2,5-dimethyl-N-undecylpyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-(4-chlorophenyl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-undecyl-amine Formula: C25H35ClN4 MolecularWeight: 427.0252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCCCCCCCCCCNC1=CC(=NC2=C(C(=NN12)C)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C25H35ClN4/c1-4-5-6-7-8-9-10-11-12-17-27-23-18-19(2)28-25-24(20(3)29-30(23)25)21-13-15-22(26)16-14-21/h13-16,18,27H,4-12,17H2,1-3H3