2,7-dimethyl-N-[(4-pentylphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 2,7-dimethyl-N-[(4-pentylphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 2,7-dimethyl-N-[(4-pentylphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2,7-dimethyl-N-[(4-pentylanilino)-sulfanylidenemethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 2,7-dimethyl-N-[(4-pentylphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-2,7-dimethyl-pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(N3C(=CC(=N3)C)N=C2)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(N3C(=CC(=N3)C)N=C2)C

InChI

InChI=1S/C21H25N5OS/c1-4-5-6-7-16-8-10-17(11-9-16)23-21(28)24-20(27)18-13-22-19-12-14(2)25-26(19)15(18)3/h8-13H,4-7H2,1-3H3,(H2,23,24,27,28)