2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-diphenylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-diphenylpyrazol-3-yl)ethanamide Openeye Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-diphenylpyrazol-3-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(2,5-diphenyl-3-pyrazolyl)acetamide IUPAC Name: 2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,5-diphenylpyrazol-3-yl)acetamide Traditional Name: 2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(2,5-diphenylpyrazol-3-yl)acetamide Formula: C21H18N6O2S MolecularWeight: 418.47162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NC(=O)C=C(N3)N)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NC(=O)C=C(N3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2S/c22-17-12-19(28)25-21(23-17)30-13-20(29)24-18-11-16(14-7-3-1-4-8-14)26-27(18)15-9-5-2-6-10-15/h1-12H,13H2,(H,24,29)(H3,22,23,25,28)