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

Systemtic Name: 3-[6-methyl-4-oxidanylidene-2-[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl]sulfanyl-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[1-(benzylcarbamoyl)propylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[6-methyl-4-oxo-2-[[1-oxo-1-[(phenylmethyl)amino]butan-2-yl]thio]-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[1-(benzylamino)-1-oxobutan-2-yl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[1-(benzylcarbamoyl)propylthio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)SC2=NC(=O)C(=C(N2)C)CCC(=O)O

InChI

InChI=1S/C19H23N3O4S/c1-3-15(18(26)20-11-13-7-5-4-6-8-13)27-19-21-12(2)14(17(25)22-19)9-10-16(23)24/h4-8,15H,3,9-11H2,1-2H3,(H,20,26)(H,23,24)(H,21,22,25)