5-methyl-6-(phenylmethyl)-2-(3-pyrrol-1-ylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-methyl-6-(phenylmethyl)-2-(3-pyrrol-1-ylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-olate Openeye Name: 6-benzyl-5-methyl-2-(3-pyrrol-1-yl-2-thienyl)pyrazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-methyl-6-(phenylmethyl)-2-[3-(1-pyrrolyl)-2-thiophenyl]-7-pyrazolo[1,5-a]pyrimidinolate IUPAC Name: 6-benzyl-5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-olate Traditional Name: 6-benzyl-5-methyl-2-(3-pyrrol-1-yl-2-thienyl)pyrazolo[1,5-a]pyrimidin-7-olate Formula: C22H17N4OS- MolecularWeight: 385.46158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=NN2C(=C1CC3=CC=CC=C3)[O-])C4=C(C=CS4)N5C=CC=C5

Isomeric SMILES

CC1=NC2=CC(=NN2C(=C1CC3=CC=CC=C3)[O-])C4=C(C=CS4)N5C=CC=C5

InChI

InChI=1S/C22H18N4OS/c1-15-17(13-16-7-3-2-4-8-16)22(27)26-20(23-15)14-18(24-26)21-19(9-12-28-21)25-10-5-6-11-25/h2-12,14,27H,13H2,1H3/p-1