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

Systemtic Name: disodium 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-3,5-bis(chloranyl)phenyl]carbonylamino]pentanedioate Openeye Name: disodium 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate CAS Name: disodium 2-[[[3,5-dichloro-4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioate IUPAC Name: disodium 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate Traditional Name: disodium 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutarate Formula: C20H18Cl2N8Na2O5 MolecularWeight: 567.29306

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Descriptors Computed from Structure

Canonical SMILES:

CN(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.[Na+].[Na+]

Isomeric SMILES

CN(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.[Na+].[Na+]

InChI

InChI=1S/C20H20Cl2N8O5.2Na/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32;;/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29);;/q;2*+1/p-2