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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NCC2=CC=CC=C2)CCC(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC(C)C(=O)NC(=O)NCC2=CC=CC=C2)CCC(=O)O

InChI

InChI=1S/C19H22N4O5S/c1-11-14(8-9-15(24)25)17(27)23-19(21-11)29-12(2)16(26)22-18(28)20-10-13-6-4-3-5-7-13/h3-7,12H,8-10H2,1-2H3,(H,24,25)(H,21,23,27)(H2,20,22,26,28)