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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-3-(6-methyl-2-methylsulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-[6-methyl-2-(methylthio)-4-oxo-1H-pyrimidin-5-yl]propanamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(6-methyl-2-methylsulfanyl-4-oxo-1H-pyrimidin-5-yl)propanamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-3-[4-keto-6-methyl-2-(methylthio)-1H-pyrimidin-5-yl]propionamide Formula: C18H21BrN4O3S MolecularWeight: 453.35334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCC2=C(NC(=NC2=O)SC)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CCC2=C(NC(=NC2=O)SC)C

InChI

InChI=1S/C18H21BrN4O3S/c1-10-8-12(19)4-6-14(10)22-16(25)9-20-15(24)7-5-13-11(2)21-18(27-3)23-17(13)26/h4,6,8H,5,7,9H2,1-3H3,(H,20,24)(H,22,25)(H,21,23,26)