N-[4-chloranyl-3-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenyl]-N-oxidanidyl-hydroxylamine

Systemtic Name: N-[4-chloranyl-3-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenyl]-N-oxidanidyl-hydroxylamine Openeye Name: N-[4-chloro-3-[[(9-tetrahydropyran-2-ylpurin-6-yl)amino]methyl]phenyl]-N-oxido-hydroxylamine CAS Name: N-[4-chloro-3-[[[9-(2-oxanyl)-6-purinyl]amino]methyl]phenyl]-N-oxidohydroxylamine IUPAC Name: N-[4-chloro-3-[[[9-(oxan-2-yl)purin-6-yl]amino]methyl]phenyl]-N-oxidohydroxylamine Traditional Name: N-[4-chloro-3-[[(9-tetrahydropyran-2-ylpurin-6-yl)amino]methyl]phenyl]-N-oxido-hydroxylamine Formula: C17H18ClN6O3- MolecularWeight: 389.81622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN6O3/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/h4-5,7,9-10,14,25H,1-3,6,8H2,(H,19,20,21)/q-1