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

Systemtic Name: 5-methyl-6-(phenylmethyl)-2-(3-pyrrol-1-ylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-benzyl-5-methyl-2-(3-pyrrol-1-yl-2-thienyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-6-(phenylmethyl)-2-[3-(1-pyrrolyl)-2-thiophenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-benzyl-5-methyl-2-(3-pyrrol-1-ylthiophen-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-benzyl-5-methyl-2-(3-pyrrol-1-yl-2-thienyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N2C(=N1)C=C(N2)C3=C(C=CS3)N4C=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N2C(=N1)C=C(N2)C3=C(C=CS3)N4C=CC=C4)CC5=CC=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/h2-12,14,24H,13H2,1H3