4-oxidanylidene-2-[(4-oxidanylidenequinazolin-3-yl)methylsulfanyl]-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-[(4-oxidanylidenequinazolin-3-yl)methylsulfanyl]-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 4-oxo-2-[(4-oxoquinazolin-3-yl)methylsulfanyl]-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-[(4-oxo-3-quinazolinyl)methylthio]-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-[(4-oxoquinazolin-3-yl)methylsulfanyl]-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-2-[(4-ketoquinazolin-3-yl)methylthio]-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C20H13N5O2S MolecularWeight: 387.41452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCN3C=NC4=CC=CC=C4C3=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCN3C=NC4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C20H13N5O2S/c21-10-15-17(13-6-2-1-3-7-13)23-20(24-18(15)26)28-12-25-11-22-16-9-5-4-8-14(16)19(25)27/h1-9,11H,12H2,(H,23,24,26)