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

Systemtic Name: 5-[[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C20H17BrN6O2S MolecularWeight: 485.35698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCC3=CC(=O)N4C(=N3)C(=CN4)C#N

InChI

InChI=1S/C20H17BrN6O2S/c1-11(2)9-26-19(29)15-5-13(21)3-4-16(15)25-20(26)30-10-14-6-17(28)27-18(24-14)12(7-22)8-23-27/h3-6,8,11,23H,9-10H2,1-2H3