6-[[[2-(dioxidanyl)phenyl]methylamino]methyl]pteridine-2,4-diamine

Systemtic Name: 6-[[[2-(dioxidanyl)phenyl]methylamino]methyl]pteridine-2,4-diamine Openeye Name: 6-[[(2-hydroperoxyphenyl)methylamino]methyl]pteridine-2,4-diamine CAS Name: 6-[[(2-hydroperoxyphenyl)methylamino]methyl]pteridine-2,4-diamine IUPAC Name: 6-[[(2-hydroperoxyphenyl)methylamino]methyl]pteridine-2,4-diamine Traditional Name: (2,4-diaminopteridin-6-yl)methyl-(2-hydroperoxybenzyl)amine Formula: C14H15N7O2 MolecularWeight: 313.3146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCC2=CN=C3C(=N2)C(=NC(=N3)N)N)OO

Isomeric SMILES

C1=CC=C(C(=C1)CNCC2=CN=C3C(=N2)C(=NC(=N3)N)N)OO

InChI

InChI=1S/C14H15N7O2/c15-12-11-13(21-14(16)20-12)18-7-9(19-11)6-17-5-8-3-1-2-4-10(8)23-22/h1-4,7,17,22H,5-6H2,(H4,15,16,18,20,21)