N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]propanamide Traditional Name: 3-besyl-N-[2-(4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]propionamide Formula: C21H19N5O4S2 MolecularWeight: 469.53666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O4S2/c1-14-12-20(28)24-21(22-14)26-18(13-16(25-26)17-8-5-10-31-17)23-19(27)9-11-32(29,30)15-6-3-2-4-7-15/h2-8,10,12-13H,9,11H2,1H3,(H,23,27)(H,22,24,28)