2,7-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 2,7-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2,7-dimethyl-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 2,7-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C23H21N5O2S MolecularWeight: 431.51014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(C=NC2=C1)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN2C(=C(C=NC2=C1)C(=O)NC(=S)NC3=CC(=CC=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C23H21N5O2S/c1-15-11-21-24-13-20(16(2)28(21)27-15)22(29)26-23(31)25-18-9-6-10-19(12-18)30-14-17-7-4-3-5-8-17/h3-13H,14H2,1-2H3,(H2,25,26,29,31)