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

Systemtic Name: 2-[[4-[3-(2-azanyl-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]glutaric acid Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=S)N=C(N1)N)CCCNC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=S)N=C(N1)N)CCCNC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H25N5O5S/c1-11-14(18(31)25-20(21)23-11)3-2-10-22-13-6-4-12(5-7-13)17(28)24-15(19(29)30)8-9-16(26)27/h4-7,15,22H,2-3,8-10H2,1H3,(H,24,28)(H,26,27)(H,29,30)(H3,21,23,25,31)