methyl 2-[2-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-6-(phenethylamino)purin-9-yl]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]-6-(phenethylamino)purin-9-yl]ethanoate Openeye Name: methyl 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-(phenethylamino)purin-9-yl]acetate CAS Name: 2-[2-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-6-(phenethylamino)-9-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-6-(phenethylamino)purin-9-yl]acetate Traditional Name: 2-[2-(4-p-anisoylpiperazino)-6-(phenethylamino)purin-9-yl]acetic acid methyl ester Formula: C28H31N7O4 MolecularWeight: 529.59024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(C(=N3)NCCC5=CC=CC=C5)N=CN4CC(=O)OC

InChI

InChI=1S/C28H31N7O4/c1-38-22-10-8-21(9-11-22)27(37)33-14-16-34(17-15-33)28-31-25(29-13-12-20-6-4-3-5-7-20)24-26(32-28)35(19-30-24)18-23(36)39-2/h3-11,19H,12-18H2,1-2H3,(H,29,31,32)