5-[(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Systemtic Name: 5-[(6-bromanyl-4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[(6-bromo-4-oxo-3-propyl-quinazolin-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[(6-bromo-4-oxo-3-propyl-2-quinazolinyl)thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[(6-bromo-4-oxo-3-propylquinazolin-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[(6-bromo-4-keto-3-propyl-quinazolin-2-yl)thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C19H15BrN6O2S MolecularWeight: 471.3304

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

CCCN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C19H15BrN6O2S/c1-2-5-25-18(28)14-6-12(20)3-4-15(14)24-19(25)29-10-13-7-16(27)26-17(23-13)11(8-21)9-22-26/h3-4,6-7,9,22H,2,5,10H2,1H3