2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC(=O)C=C(N2)N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC(=O)C=C(N2)N)C

InChI

InChI=1S/C16H20N4O2S/c1-4-11-7-5-6-9(2)14(11)20-15(22)10(3)23-16-18-12(17)8-13(21)19-16/h5-8,10H,4H2,1-3H3,(H,20,22)(H3,17,18,19,21)