4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-6-phenethyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-6-phenethyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-acetonylsulfanyl-4-oxo-6-phenethyl-1H-pyrimidine-5-carbonitrile CAS Name: 4-oxo-2-(2-oxopropylthio)-6-phenethyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 4-oxo-2-(2-oxopropylsulfanyl)-6-phenethyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(acetonylthio)-4-keto-6-phenethyl-1H-pyrimidine-5-carbonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C(=C(N1)CCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(=O)CSC1=NC(=O)C(=C(N1)CCC2=CC=CC=C2)C#N

InChI

InChI=1S/C16H15N3O2S/c1-11(20)10-22-16-18-14(13(9-17)15(21)19-16)8-7-12-5-3-2-4-6-12/h2-6H,7-8,10H2,1H3,(H,18,19,21)