ethyl 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]piperidine-3-carboxylate CAS Name: 1-[9-[5-[(cyclopropylamino)-oxomethyl]-2-methylphenyl]-6-purinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[9-[5-(cyclopropylcarbamoyl)-2-methylphenyl]purin-6-yl]piperidine-3-carboxylate Traditional Name: 1-[9-[5-(cyclopropylcarbamoyl)-2-methyl-phenyl]purin-6-yl]nipecotic acid ethyl ester Formula: C24H28N6O3 MolecularWeight: 448.51752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=NC=NC3=C2N=CN3C4=C(C=CC(=C4)C(=O)NC5CC5)C

InChI

InChI=1S/C24H28N6O3/c1-3-33-24(32)17-5-4-10-29(12-17)21-20-22(26-13-25-21)30(14-27-20)19-11-16(7-6-15(19)2)23(31)28-18-8-9-18/h6-7,11,13-14,17-18H,3-5,8-10,12H2,1-2H3,(H,28,31)