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

Systemtic Name: 5-[[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 5-[[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 5-[[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile IUPAC Name: 5-[[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 5-[[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]methyl]-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C23H15ClN6O2S MolecularWeight: 474.9222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15ClN6O2S/c1-13-3-2-4-17(7-13)29-22(32)18-6-5-15(24)8-19(18)28-23(29)33-12-16-9-20(31)30-21(27-16)14(10-25)11-26-30/h2-9,11,26H,12H2,1H3