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

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(5-tert-butyl-2-methoxy-phenyl)propanamide Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(5-tert-butyl-2-methoxy-phenyl)propanamide CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-N-(5-tert-butyl-2-methoxyphenyl)propanamide IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(5-tert-butyl-2-methoxyphenyl)propanamide Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]-N-(5-tert-butyl-2-methoxy-phenyl)propionamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S/c1-13-16(14(2)25-21(24-13)30-12-19(23)27)8-10-20(28)26-17-11-15(22(3,4)5)7-9-18(17)29-6/h7,9,11H,8,10,12H2,1-6H3,(H2,23,27)(H,26,28)