6-azanyl-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-amino-2-[[2-(2,5-dimethylphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[[2-(2,5-dimethylphenyl)-2-keto-ethyl]thio]-1H-pyrimidin-4-one Formula: C14H15N3O2S MolecularWeight: 289.3528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H15N3O2S/c1-8-3-4-9(2)10(5-8)11(18)7-20-14-16-12(15)6-13(19)17-14/h3-6H,7H2,1-2H3,(H3,15,16,17,19)