N-[3-(6-aminopurin-9-yl)propyl]-3,5-dinitro-benzamide

Systemtic Name: N-[3-(6-aminopurin-9-yl)propyl]-3,5-dinitro-benzamide Openeye Name: N-[3-(6-aminopurin-9-yl)propyl]-3,5-dinitro-benzamide CAS Name: N-[3-(6-aminopurin-9-yl)propyl]-3,5-dinitrobenzamide IUPAC Name: N-[3-(6-aminopurin-9-yl)propyl]-3,5-dinitrobenzamide Traditional Name: N-(3-adenin-9-ylpropyl)-3,5-dinitro-benzamide Formula: C15H14N8O5 MolecularWeight: 386.32226

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C15H14N8O5/c16-13-12-14(19-7-18-13)21(8-20-12)3-1-2-17-15(24)9-4-10(22(25)26)6-11(5-9)23(27)28/h4-8H,1-3H2,(H,17,24)(H2,16,18,19)