2-azanyl-3-(2-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)-9-oxidanylidene-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile

Systemtic Name: 2-azanyl-3-(2-methylsulfanyl-4-oxidanylidene-quinazolin-3-yl)-9-oxidanylidene-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile Openeye Name: 2-amino-3-(2-methylsulfanyl-4-oxo-quinazolin-3-yl)-9-oxo-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile CAS Name: 2-amino-3-[2-(methylthio)-4-oxo-3-quinazolinyl]-9-oxo-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile IUPAC Name: 2-amino-3-(2-methylsulfanyl-4-oxoquinazolin-3-yl)-9-oxo-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile Traditional Name: 2-amino-9-keto-3-[4-keto-2-(methylthio)quinazolin-3-yl]-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile Formula: C21H14N6O2S MolecularWeight: 414.43986

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2C(=O)N1C3=C4NC5=CC=CC=C5C(=O)N4C(=C3N)C#N

Isomeric SMILES

CSC1=NC2=CC=CC=C2C(=O)N1C3=C4NC5=CC=CC=C5C(=O)N4C(=C3N)C#N

InChI

InChI=1S/C21H14N6O2S/c1-30-21-25-14-9-5-3-7-12(14)20(29)27(21)17-16(23)15(10-22)26-18(17)24-13-8-4-2-6-11(13)19(26)28/h2-9,24H,23H2,1H3