2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2,5-dimethylphenyl)propanamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)propanamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2,5-dimethylphenyl)propionamide Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C15H18N4O2S/c1-8-4-5-9(2)11(6-8)17-14(21)10(3)22-15-18-12(16)7-13(20)19-15/h4-7,10H,1-3H3,(H,17,21)(H3,16,18,19,20)