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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=NC(=O)C4=CC=CC=C4N3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC3=NC(=O)C4=CC=CC=C4N3)C#N

InChI

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