methyl 4-[[[8-(2-cyclopentylethyl)-7H-purin-6-yl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[8-(2-cyclopentylethyl)-7H-purin-6-yl]amino]methyl]benzoate Openeye Name: methyl 4-[[[8-(2-cyclopentylethyl)-7H-purin-6-yl]amino]methyl]benzoate CAS Name: 4-[[[8-(2-cyclopentylethyl)-7H-purin-6-yl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[8-(2-cyclopentylethyl)-7H-purin-6-yl]amino]methyl]benzoate Traditional Name: 4-[[[8-(2-cyclopentylethyl)-7H-purin-6-yl]amino]methyl]benzoic acid methyl ester Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=C2NC(=N3)CCC4CCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=NC=NC3=C2NC(=N3)CCC4CCCC4

InChI

InChI=1S/C21H25N5O2/c1-28-21(27)16-9-6-15(7-10-16)12-22-19-18-20(24-13-23-19)26-17(25-18)11-8-14-4-2-3-5-14/h6-7,9-10,13-14H,2-5,8,11-12H2,1H3,(H2,22,23,24,25,26)