ethyl 4-[[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]carbamoyl]benzoate

Systemtic Name: ethyl 4-[[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]carbamoyl]benzoate Openeye Name: ethyl 4-[[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidyl]carbamoyl]benzoate CAS Name: 4-[[[1-[3-(6-aminopurin-9-yl)propyl]-4-piperidinyl]amino]-oxomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[3-(6-aminopurin-9-yl)propyl]piperidin-4-yl]carbamoyl]benzoate Traditional Name: 4-[[1-(3-adenin-9-ylpropyl)-4-piperidyl]carbamoyl]benzoic acid ethyl ester Formula: C23H29N7O3 MolecularWeight: 451.52146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N7O3/c1-2-33-23(32)17-6-4-16(5-7-17)22(31)28-18-8-12-29(13-9-18)10-3-11-30-15-27-19-20(24)25-14-26-21(19)30/h4-7,14-15,18H,2-3,8-13H2,1H3,(H,28,31)(H2,24,25,26)