2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC(=O)C=C(N2)N)C3=CC=CC=C3

InChI

InChI=1S/C16H16N6O2S/c1-10-7-13(22(21-10)11-5-3-2-4-6-11)19-15(24)9-25-16-18-12(17)8-14(23)20-16/h2-8H,9H2,1H3,(H,19,24)(H3,17,18,20,23)