N-(5-azanyl-2-methyl-phenyl)-3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-3-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-(5-amino-2-methylphenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(5-amino-2-methylphenyl)-3-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-3-[(6-keto-1H-pyrimidin-2-yl)thio]propionamide Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)CCSC2=NC=CC(=O)N2

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)CCSC2=NC=CC(=O)N2

InChI

InChI=1S/C14H16N4O2S/c1-9-2-3-10(15)8-11(9)17-13(20)5-7-21-14-16-6-4-12(19)18-14/h2-4,6,8H,5,7,15H2,1H3,(H,17,20)(H,16,18,19)