N-[5-cyclopropyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[5-cyclopropyl-2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[5-cyclopropyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide CAS Name: N-[5-cyclopropyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[5-cyclopropyl-2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide Traditional Name: 2-(benzylthio)-N-[5-cyclopropyl-2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3CC3)NC(=O)CSCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3CC3)NC(=O)CSCC4=CC=CC=C4)C

InChI

InChI=1S/C21H23N5O2S/c1-13-14(2)22-21(24-20(13)28)26-18(10-17(25-26)16-8-9-16)23-19(27)12-29-11-15-6-4-3-5-7-15/h3-7,10,16H,8-9,11-12H2,1-2H3,(H,23,27)(H,22,24,28)