4-[[4-[(2-azanyl-5-methyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 4-[[4-[(2-azanyl-5-methyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 4-[[4-[(2-amino-5-methyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoate CAS Name: 4-[[[4-[(2-amino-5-methyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-5-oxopentanoate IUPAC Name: 4-[[4-[(2-amino-5-methyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoate Traditional Name: 4-[[4-[(2-amino-4-keto-5-methyl-1,8-dihydropteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-valerate Formula: C20H22N7O6- MolecularWeight: 456.43198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O

Isomeric SMILES

CN1C(=CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)O

InChI

InChI=1S/C20H23N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,9,13,22H,6-8H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/p-1