ethyl 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-4-carboxylate CAS Name: 1-[9-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-6-purinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[9-[5-(cyclopropylcarbamoyl)-2-methylphenyl]purin-6-yl]piperidine-4-carboxylate Traditional Name: 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]isonipecotic acid ethyl ester Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C24H28N6O3/c1-3-33-24(32)16-8-10-29(11-9-16)21-20-22(26-13-25-21)30(14-27-20)19-12-17(5-4-15(19)2)23(31)28-18-6-7-18/h4-5,12-14,16,18H,3,6-11H2,1-2H3,(H,28,31)