2-[5-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]pentanoyl-dimethyl-azaniumyl]pentanedioate

Systemtic Name: 2-[5-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]pentanoyl-dimethyl-azaniumyl]pentanedioate Openeye Name: 2-[5-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]pentanoyl-dimethyl-ammonio]pentanedioate CAS Name: 2-[[5-[(2,4-diamino-6-pteridinyl)methyl-methylamino]-1-oxopentyl]-dimethylammonio]pentanedioate IUPAC Name: 2-[5-[(2,4-diaminopteridin-6-yl)methyl-methylamino]pentanoyl-dimethylazaniumyl]pentanedioate Traditional Name: 2-[5-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]pentanoyl-dimethyl-ammonio]glutarate Formula: C20H29N8O5- MolecularWeight: 461.49486

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(=O)[N+](C)(C)C(CCC(=O)[O-])C(=O)[O-])CC1=CN=C2C(=N1)C(=NC(=N2)N)N

Isomeric SMILES

CN(CCCCC(=O)[N+](C)(C)C(CCC(=O)[O-])C(=O)[O-])CC1=CN=C2C(=N1)C(=NC(=N2)N)N

InChI

InChI=1S/C20H30N8O5/c1-27(11-12-10-23-18-16(24-12)17(21)25-20(22)26-18)9-5-4-6-14(29)28(2,3)13(19(32)33)7-8-15(30)31/h10,13H,4-9,11H2,1-3H3,(H5-,21,22,23,25,26,30,31,32,33)/p-1