3-[2-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[2-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[2-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid CAS Name: 3-[2-[[2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl]thio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[2-[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[2-[[2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl]thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]propionic acid Formula: C19H22N4O5S MolecularWeight: 418.46678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)CSC2=NC(=O)C(=C(N2)C)CCC(=O)O)C

InChI

InChI=1S/C19H22N4O5S/c1-10-5-4-6-14(11(10)2)21-18(28)22-15(24)9-29-19-20-12(3)13(17(27)23-19)7-8-16(25)26/h4-6H,7-9H2,1-3H3,(H,25,26)(H,20,23,27)(H2,21,22,24,28)