5-propyl-2-(3-pyrrol-1-ylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-propyl-2-(3-pyrrol-1-ylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-propyl-2-(3-pyrrol-1-yl-2-thienyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-propyl-2-[3-(1-pyrrolyl)-2-thiophenyl]-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 5-propyl-2-(3-pyrrol-1-ylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-propyl-2-(3-pyrrol-1-yl-2-thienyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C17H15N4OS- MolecularWeight: 323.3922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC(=NN2C(=C1)[O-])C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

CCCC1=NC2=CC(=NN2C(=C1)[O-])C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C17H16N4OS/c1-2-5-12-10-16(22)21-15(18-12)11-13(19-21)17-14(6-9-23-17)20-7-3-4-8-20/h3-4,6-11,22H,2,5H2,1H3/p-1