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

Systemtic Name: 2-azanyl-9-oxidanylidene-3-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile Openeye Name: 2-amino-3-(2-benzylsulfanyl-4-oxo-quinazolin-3-yl)-9-oxo-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile CAS Name: 2-amino-9-oxo-3-[4-oxo-2-(phenylmethylthio)-3-quinazolinyl]-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile IUPAC Name: 2-amino-3-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)-9-oxo-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile Traditional Name: 2-amino-3-[2-(benzylthio)-4-keto-quinazolin-3-yl]-9-keto-4H-pyrrolo[2,1-b]quinazoline-1-carbonitrile Formula: C27H18N6O2S MolecularWeight: 490.53582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=C5NC6=CC=CC=C6C(=O)N5C(=C4N)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=C5NC6=CC=CC=C6C(=O)N5C(=C4N)C#N

InChI

InChI=1S/C27H18N6O2S/c28-14-21-22(29)23(24-30-19-12-6-4-10-17(19)25(34)32(21)24)33-26(35)18-11-5-7-13-20(18)31-27(33)36-15-16-8-2-1-3-9-16/h1-13,30H,15,29H2