N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-4-nitro-benzamide

Systemtic Name: N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-4-nitro-benzamide Openeye Name: N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidyl]-4-nitro-benzamide CAS Name: N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidinyl]-4-nitrobenzamide IUPAC Name: N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-4-nitrobenzamide Traditional Name: N-[1-(3-adenin-9-ylpropyl)-4-piperidyl]-4-nitro-benzamide Formula: C20H24N8O3 MolecularWeight: 424.45636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C20H24N8O3/c21-18-17-19(23-12-22-18)27(13-24-17)9-1-8-26-10-6-15(7-11-26)25-20(29)14-2-4-16(5-3-14)28(30)31/h2-5,12-13,15H,1,6-11H2,(H,25,29)(H2,21,22,23)