2-[[4-[3-(2-azanyl-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[3-(2-azanyl-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]glutaric acid Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)N)CCC(=O)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=S)N=C(N1)N)CCC(=O)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H23N5O6S/c1-10-13(18(32)25-20(21)22-10)6-8-15(26)23-12-4-2-11(3-5-12)17(29)24-14(19(30)31)7-9-16(27)28/h2-5,14H,6-9H2,1H3,(H,23,26)(H,24,29)(H,27,28)(H,30,31)(H3,21,22,25,32)