N-(4-acetamido-3-chloranyl-phenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-(4-acetamido-3-chlorophenyl)-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=C(C=C2)NC(=O)C)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=C(C=C2)NC(=O)C)Cl

InChI

InChI=1S/C18H21ClN4O2S/c1-10-14(11(2)21-18(20-10)26-4)6-8-17(25)23-13-5-7-16(15(19)9-13)22-12(3)24/h5,7,9H,6,8H2,1-4H3,(H,22,24)(H,23,25)