2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(1-acetyl-2-oxo-propyl)sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-(2,4-dioxopentan-3-ylthio)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(2,4-dioxopentan-3-ylsulfanyl)-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-[(1-acetyl-2-keto-propyl)thio]-4-keto-6-phenyl-1H-pyrimidine-5-carbonitrile Formula: C16H13N3O3S MolecularWeight: 327.35772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C16H13N3O3S/c1-9(20)14(10(2)21)23-16-18-13(11-6-4-3-5-7-11)12(8-17)15(22)19-16/h3-7,14H,1-2H3,(H,18,19,22)