6-chloranyl-8-[4-(2-methylpropoxy)-3-nitro-phenyl]-7H-purine

Systemtic Name: 6-chloranyl-8-[4-(2-methylpropoxy)-3-nitro-phenyl]-7H-purine Openeye Name: 6-chloro-8-(4-isobutoxy-3-nitro-phenyl)-7H-purine CAS Name: 6-chloro-8-[4-(2-methylpropoxy)-3-nitrophenyl]-7H-purine IUPAC Name: 6-chloro-8-[4-(2-methylpropoxy)-3-nitrophenyl]-7H-purine Traditional Name: 6-chloro-8-(4-isobutoxy-3-nitro-phenyl)-7H-purine Formula: C15H14ClN5O3 MolecularWeight: 347.75636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NC3=C(N2)C(=NC=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NC3=C(N2)C(=NC=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14ClN5O3/c1-8(2)6-24-11-4-3-9(5-10(11)21(22)23)14-19-12-13(16)17-7-18-15(12)20-14/h3-5,7-8H,6H2,1-2H3,(H,17,18,19,20)