9-butan-2-yl-6-chloranyl-8-methyl-2-(3-nitrophenyl)purine

Systemtic Name: 9-butan-2-yl-6-chloranyl-8-methyl-2-(3-nitrophenyl)purine Openeye Name: 6-chloro-8-methyl-2-(3-nitrophenyl)-9-sec-butyl-purine CAS Name: 9-butan-2-yl-6-chloro-8-methyl-2-(3-nitrophenyl)purine IUPAC Name: 9-butan-2-yl-6-chloro-8-methyl-2-(3-nitrophenyl)purine Traditional Name: 6-chloro-8-methyl-2-(3-nitrophenyl)-9-sec-butyl-purine Formula: C16H16ClN5O2 MolecularWeight: 345.78354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=NC2=C1N=C(N=C2Cl)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)N1C(=NC2=C1N=C(N=C2Cl)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C16H16ClN5O2/c1-4-9(2)21-10(3)18-13-14(17)19-15(20-16(13)21)11-6-5-7-12(8-11)22(23)24/h5-9H,4H2,1-3H3