methyl 2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-6-(phenethylamino)purin-9-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-6-(phenethylamino)purin-9-yl]ethanoate Openeye Name: methyl 2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-6-(phenethylamino)purin-9-yl]acetate CAS Name: 2-[2-[4-(3-cyclopentyl-1-oxopropyl)-1-piperazinyl]-6-(phenethylamino)-9-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-6-(phenethylamino)purin-9-yl]acetate Traditional Name: 2-[2-[4-(3-cyclopentylpropanoyl)piperazino]-6-(phenethylamino)purin-9-yl]acetic acid methyl ester Formula: C28H37N7O3 MolecularWeight: 519.63848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=C3)N4CCN(CC4)C(=O)CCC5CCCC5

Isomeric SMILES

COC(=O)CN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=C3)N4CCN(CC4)C(=O)CCC5CCCC5

InChI

InChI=1S/C28H37N7O3/c1-38-24(37)19-35-20-30-25-26(29-14-13-22-7-3-2-4-8-22)31-28(32-27(25)35)34-17-15-33(16-18-34)23(36)12-11-21-9-5-6-10-21/h2-4,7-8,20-21H,5-6,9-19H2,1H3,(H,29,31,32)