4-chloranyl-3-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-chloranyl-3-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]-N-oxidanyl-benzeneamine oxide Openeye Name: 4-chloro-N-hydroxy-3-[[(9-tetrahydropyran-2-ylpurin-6-yl)amino]methyl]benzeneamine oxide CAS Name: 4-chloro-N-hydroxy-3-[[[9-(2-oxanyl)-6-purinyl]amino]methyl]benzeneamine oxide IUPAC Name: 4-chloro-N-hydroxy-3-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]benzeneamine oxide Traditional Name: 4-chloro-N-hydroxy-3-[[(9-tetrahydropyran-2-ylpurin-6-yl)amino]methyl]benzeneamine oxide Formula: C17H19ClN6O3 MolecularWeight: 390.82416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)[NH+](O)[O-])Cl

Isomeric SMILES

C1CCOC(C1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)[NH+](O)[O-])Cl

InChI

InChI=1S/C17H19ClN6O3/c18-13-5-4-12(24(25)26)7-11(13)8-19-16-15-17(21-9-20-16)23(10-22-15)14-3-1-2-6-27-14/h4-5,7,9-10,14,24-25H,1-3,6,8H2,(H,19,20,21)