4-chloranylbutyl N-[3-(3-thiophen-2-ylcarbonylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]carbamate

Systemtic Name: 4-chloranylbutyl N-[3-(3-thiophen-2-ylcarbonylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]carbamate Openeye Name: 4-chlorobutyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate CAS Name: N-[3-[3-[oxo(thiophen-2-yl)methyl]-7-pyrazolo[1,5-a]pyrimidinyl]phenyl]carbamic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamate Traditional Name: N-[3-[3-(2-thenoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]carbamic acid 4-chlorobutyl ester Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)OCCCCCl)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)OCCCCCl)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H19ClN4O3S/c23-9-1-2-11-30-22(29)26-16-6-3-5-15(13-16)18-8-10-24-21-17(14-25-27(18)21)20(28)19-7-4-12-31-19/h3-8,10,12-14H,1-2,9,11H2,(H,26,29)