N-[(2-chloranyl-5-nitro-phenyl)methyl]-9-[(2S)-oxan-2-yl]purin-6-amine

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-9-[(2S)-oxan-2-yl]purin-6-amine Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-9-[(2S)-tetrahydropyran-2-yl]purin-6-amine CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-9-[(2S)-2-oxanyl]-6-purinamine IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-9-[(2S)-oxan-2-yl]purin-6-amine Traditional Name: (2-chloro-5-nitro-benzyl)-[9-[(2S)-tetrahydropyran-2-yl]purin-6-yl]amine Formula: C17H17ClN6O3 MolecularWeight: 388.80828

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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

C1CCO[C@@H](C1)N2C=NC3=C2N=CN=C3NCC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17ClN6O3/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/h4-5,7,9-10,14H,1-3,6,8H2,(H,19,20,21)/t14-/m0/s1