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

Systemtic Name: 5-[[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C24H18N6O2S MolecularWeight: 454.50372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N6O2S/c1-14-7-15(2)9-18(8-14)29-23(32)19-5-3-4-6-20(19)28-24(29)33-13-17-10-21(31)30-22(27-17)16(11-25)12-26-30/h3-10,12,26H,13H2,1-2H3