3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(4-tert-butylphenyl)propanamide

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(4-tert-butylphenyl)propanamide Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(4-tert-butylphenyl)propanamide CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-N-(4-tert-butylphenyl)propanamide IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(4-tert-butylphenyl)propanamide Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]-N-(4-tert-butylphenyl)propionamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)NC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)NC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N4O2S/c1-13-17(14(2)24-20(23-13)28-12-18(22)26)10-11-19(27)25-16-8-6-15(7-9-16)21(3,4)5/h6-9H,10-12H2,1-5H3,(H2,22,26)(H,25,27)