[2-[[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]carbamoyl]phenyl] ethanoate

Systemtic Name: [2-[[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]carbamoyl]phenyl] ethanoate Openeye Name: [2-[[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidyl]carbamoyl]phenyl] acetate CAS Name: acetic acid [2-[[[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidinyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [2-[[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]carbamoyl]phenyl] acetate Traditional Name: acetic acid [2-[[1-(3-adenin-9-ylpropyl)-4-piperidyl]carbamoyl]phenyl] ester Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)NC2CCN(CC2)CCCN3C=NC4=C3N=CN=C4N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)NC2CCN(CC2)CCCN3C=NC4=C3N=CN=C4N

InChI

InChI=1S/C22H27N7O3/c1-15(30)32-18-6-3-2-5-17(18)22(31)27-16-7-11-28(12-8-16)9-4-10-29-14-26-19-20(23)24-13-25-21(19)29/h2-3,5-6,13-14,16H,4,7-12H2,1H3,(H,27,31)(H2,23,24,25)