hexyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: hexyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: hexyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 3-[4-(phenylthio)phenyl]-6-pyrazolo[1,5-a]pyrimidinecarboxylic acid hexyl ester IUPAC Name: hexyl 3-(4-phenylsulfanylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 3-[4-(phenylthio)phenyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid hexyl ester Formula: C25H25N3O2S MolecularWeight: 431.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CN2C(=C(C=N2)C3=CC=C(C=C3)SC4=CC=CC=C4)N=C1

Isomeric SMILES

CCCCCCOC(=O)C1=CN2C(=C(C=N2)C3=CC=C(C=C3)SC4=CC=CC=C4)N=C1

InChI

InChI=1S/C25H25N3O2S/c1-2-3-4-8-15-30-25(29)20-16-26-24-23(17-27-28(24)18-20)19-11-13-22(14-12-19)31-21-9-6-5-7-10-21/h5-7,9-14,16-18H,2-4,8,15H2,1H3