methyl 2-[9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-2-yl]oxypyridine-4-carboxylate

Systemtic Name: methyl 2-[9-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]purin-2-yl]oxypyridine-4-carboxylate Openeye Name: methyl 2-[9-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]purin-2-yl]oxypyridine-4-carboxylate CAS Name: 2-[[9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-purinyl]oxy]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[9-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]purin-2-yl]oxypyridine-4-carboxylate Traditional Name: 2-[9-[3-(cyclopentoxy)-4-methoxy-benzyl]purin-2-yl]oxyisonicotinic acid methyl ester Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C=NC3=CN=C(N=C32)OC4=NC=CC(=C4)C(=O)OC)OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C=NC3=CN=C(N=C32)OC4=NC=CC(=C4)C(=O)OC)OC5CCCC5

InChI

InChI=1S/C25H25N5O5/c1-32-20-8-7-16(11-21(20)34-18-5-3-4-6-18)14-30-15-28-19-13-27-25(29-23(19)30)35-22-12-17(9-10-26-22)24(31)33-2/h7-13,15,18H,3-6,14H2,1-2H3