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

Systemtic Name: 5-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[(3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C21H20N6O2S MolecularWeight: 420.4875

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C21H20N6O2S/c1-13(2)7-8-26-20(29)16-5-3-4-6-17(16)25-21(26)30-12-15-9-18(28)27-19(24-15)14(10-22)11-23-27/h3-6,9,11,13,23H,7-8,12H2,1-2H3