5-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-[[3-(5-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[[3-(5-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[[3-(5-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-keto-5-[[[4-keto-3-(5-methyl-2-pyridyl)quinazolin-2-yl]thio]methyl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C22H15N7O2S MolecularWeight: 441.4652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C(=N4)C(=CN5)C#N

Isomeric SMILES

CC1=CN=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C(=N4)C(=CN5)C#N

InChI

InChI=1S/C22H15N7O2S/c1-13-6-7-18(24-10-13)28-21(31)16-4-2-3-5-17(16)27-22(28)32-12-15-8-19(30)29-20(26-15)14(9-23)11-25-29/h2-8,10-11,25H,12H2,1H3