3-[6-methyl-4-oxidanylidene-2-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanyl-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-(1-oxidanylidene-1-phenylazanyl-butan-2-yl)sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[6-methyl-4-oxo-2-[1-(phenylcarbamoyl)propylsulfanyl]-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[(1-anilino-1-oxobutan-2-yl)thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-(1-anilino-1-oxobutan-2-yl)sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-keto-6-methyl-2-[1-(phenylcarbamoyl)propylthio]-1H-pyrimidin-5-yl]propionic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C18H21N3O4S/c1-3-14(17(25)20-12-7-5-4-6-8-12)26-18-19-11(2)13(16(24)21-18)9-10-15(22)23/h4-8,14H,3,9-10H2,1-2H3,(H,20,25)(H,22,23)(H,19,21,24)