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

Systemtic Name: 3-chloranyl-N-[2-[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-pyrazol-3-yl]propanamide Openeye Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3-chloro-propanamide CAS Name: 3-chloro-N-[2-[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]-5-thiophen-2-yl-3-pyrazolyl]propanamide IUPAC Name: N-[2-(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-3-chloropropanamide Traditional Name: N-[2-(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3-chloro-propionamide Formula: C22H20ClN5O2S MolecularWeight: 453.9445

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCl)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCl)CC4=CC=CC=C4

InChI

InChI=1S/C22H20ClN5O2S/c1-14-16(12-15-6-3-2-4-7-15)21(30)26-22(24-14)28-19(25-20(29)9-10-23)13-17(27-28)18-8-5-11-31-18/h2-8,11,13H,9-10,12H2,1H3,(H,25,29)(H,24,26,30)