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

Systemtic Name: N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-4-methoxy-benzamide Openeye Name: N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidyl]-4-methoxy-benzamide CAS Name: N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidinyl]-4-methoxybenzamide IUPAC Name: N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-4-methoxybenzamide Traditional Name: N-[1-(3-adenin-9-ylpropyl)-4-piperidyl]-4-methoxy-benzamide Formula: C21H27N7O2 MolecularWeight: 409.48478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C21H27N7O2/c1-30-17-5-3-15(4-6-17)21(29)26-16-7-11-27(12-8-16)9-2-10-28-14-25-18-19(22)23-13-24-20(18)28/h3-6,13-14,16H,2,7-12H2,1H3,(H,26,29)(H2,22,23,24)