7-[(4,5-dimethoxy-2-nitro-phenyl)methyl]purine

Systemtic Name: 7-[(4,5-dimethoxy-2-nitro-phenyl)methyl]purine Openeye Name: 7-[(4,5-dimethoxy-2-nitro-phenyl)methyl]purine CAS Name: 7-[(4,5-dimethoxy-2-nitrophenyl)methyl]purine IUPAC Name: 7-[(4,5-dimethoxy-2-nitrophenyl)methyl]purine Traditional Name: 7-(4,5-dimethoxy-2-nitro-benzyl)purine Formula: C14H13N5O4 MolecularWeight: 315.28412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2C=NC3=NC=NC=C32)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2C=NC3=NC=NC=C32)[N+](=O)[O-])OC

InChI

InChI=1S/C14H13N5O4/c1-22-12-3-9(10(19(20)21)4-13(12)23-2)6-18-8-17-14-11(18)5-15-7-16-14/h3-5,7-8H,6H2,1-2H3