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

Systemtic Name: 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN4O3S/c1-10-13(11(2)22-18(21-10)27-9-16(20)24)5-7-17(25)23-12-4-6-15(26-3)14(19)8-12/h4,6,8H,5,7,9H2,1-3H3,(H2,20,24)(H,23,25)