5-[(4-chlorophenyl)sulfanylmethyl]-3-(3-methylbutylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]-3-(3-methylbutylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-3-(isopentylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-3-[(3-methylbutylamino)-oxomethyl]-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-3-(3-methylbutylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-3-(isoamylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C19H20ClN4O2S- MolecularWeight: 403.9057

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=C2N=C(C=C(N2N=C1)[O-])CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=C2N=C(C=C(N2N=C1)[O-])CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-12(2)7-8-21-19(26)16-10-22-24-17(25)9-14(23-18(16)24)11-27-15-5-3-13(20)4-6-15/h3-6,9-10,12,25H,7-8,11H2,1-2H3,(H,21,26)/p-1