2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]-3,5-bis(chloranyl)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]-3,5-bis(chloranyl)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[3,5-dichloro-4-[(2,4-diamino-6-pteridinyl)methyl-ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]glutaric acid Formula: C21H22Cl2N8O5 MolecularWeight: 537.35598

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl

Isomeric SMILES

CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl

InChI

InChI=1S/C21H22Cl2N8O5/c1-2-31(8-10-7-26-18-15(27-10)17(24)29-21(25)30-18)16-11(22)5-9(6-12(16)23)19(34)28-13(20(35)36)3-4-14(32)33/h5-7,13H,2-4,8H2,1H3,(H,28,34)(H,32,33)(H,35,36)(H4,24,25,26,29,30)