hexasodium; 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[(1-oxidanidyl-1-oxidanylidene-4,4-diphosphonato-butan-2-yl)amino]-5-oxidanylidene-pentanoate; technetium-99

Systemtic Name: hexasodium; 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]-5-[(1-oxidanidyl-1-oxidanylidene-4,4-diphosphonato-butan-2-yl)amino]-5-oxidanylidene-pentanoate; technetium-99 Openeye Name: hexasodium; 5-[(1-carboxylato-3,3-diphosphonato-propyl)amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-oxo-pentanoate; technetium-99 CAS Name: hexasodium; 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]-5-[(1-oxido-1-oxo-4,4-diphosphonatobutan-2-yl)amino]-5-oxopentanoate; technetium-99 IUPAC Name: hexasodium; 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-5-[(1-oxido-1-oxo-4,4-diphosphonatobutan-2-yl)amino]-5-oxopentanoate; technetium-99 Traditional Name: hexasodium; 5-[(1-carboxylato-3,3-diphosphonato-propyl)amino]-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]-5-keto-valerate; technetium-99 Formula: C24H25N9Na6O12P2Tc MolecularWeight: 930.300797

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Tc]

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])C(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[99Tc]

InChI

InChI=1S/C24H31N9O12P2.6Na.Tc/c1-33(10-12-9-27-20-18(28-12)19(25)31-24(26)32-20)13-4-2-11(3-5-13)21(35)30-14(22(36)37)6-7-16(34)29-15(23(38)39)8-17(46(40,41)42)47(43,44)45;;;;;;;/h2-5,9,14-15,17H,6-8,10H2,1H3,(H,29,34)(H,30,35)(H,36,37)(H,38,39)(H2,40,41,42)(H2,43,44,45)(H4,25,26,27,31,32);;;;;;;/q;6*+1;/p-6/i;;;;;;;1+1