3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-[(4-nitrophenyl)amino]ethyl]propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-(4-nitroanilino)ethyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[2-(4-nitroanilino)ethyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(4-nitroanilino)ethyl]propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[2-(4-nitroanilino)ethyl]propionamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3S/c1-12-16(13(2)22-18(21-12)27-3)8-9-17(24)20-11-10-19-14-4-6-15(7-5-14)23(25)26/h4-7,19H,8-11H2,1-3H3,(H,20,24)