N-[5-tert-butyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[5-tert-butyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)-3-pyrazolyl]-3-(phenylthio)propanamide IUPAC Name: N-[5-tert-butyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[5-tert-butyl-2-(4-keto-6-methyl-1H-pyrimidin-2-yl)pyrazol-3-yl]-3-(phenylthio)propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2C(=CC(=N2)C(C)(C)C)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-14-12-19(28)24-20(22-14)26-17(13-16(25-26)21(2,3)4)23-18(27)10-11-29-15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3,(H,23,27)(H,22,24,28)