3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: 3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)-N-[2-[(2-nitrophenyl)amino]ethyl]propanamide Openeye Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-[2-(2-nitroanilino)ethyl]propanamide CAS Name: 3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]-N-[2-(2-nitroanilino)ethyl]propanamide IUPAC Name: 3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)-N-[2-(2-nitroanilino)ethyl]propanamide Traditional Name: 3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]-N-[2-(2-nitroanilino)ethyl]propionamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4S/c1-11-12(16(24)21-17(20-11)27-2)7-8-15(23)19-10-9-18-13-5-3-4-6-14(13)22(25)26/h3-6,18H,7-10H2,1-2H3,(H,19,23)(H,20,21,24)