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

Systemtic Name: N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-3-methyl-benzamide Openeye Name: N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidyl]-3-methyl-benzamide CAS Name: N-[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidinyl]-3-methylbenzamide IUPAC Name: N-[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]-3-methylbenzamide Traditional Name: N-[1-(3-adenin-9-ylpropyl)-4-piperidyl]-3-methyl-benzamide Formula: C21H27N7O MolecularWeight: 393.48538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2CCN(CC2)CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C21H27N7O/c1-15-4-2-5-16(12-15)21(29)26-17-6-10-27(11-7-17)8-3-9-28-14-25-18-19(22)23-13-24-20(18)28/h2,4-5,12-14,17H,3,6-11H2,1H3,(H,26,29)(H2,22,23,24)