2-[4-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[4-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]phenyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[4-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[4-[[2-acetamido-4-(methylthio)-1-oxobutyl]amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[4-[(2-acetamido-4-methylsulfanylbutanoyl)amino]phenyl]-6-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-[[2-acetamido-4-(methylthio)butanoyl]amino]phenyl]-6-keto-1H-pyrimidine-5-carboxylic acid Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)NC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)NC1=CC=C(C=C1)C2=NC=C(C(=O)N2)C(=O)O

InChI

InChI=1S/C18H20N4O5S/c1-10(23)20-14(7-8-28-2)17(25)21-12-5-3-11(4-6-12)15-19-9-13(18(26)27)16(24)22-15/h3-6,9,14H,7-8H2,1-2H3,(H,20,23)(H,21,25)(H,26,27)(H,19,22,24)