methyl 2-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoate

Systemtic Name: methyl 2-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanoate Openeye Name: methyl 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetate CAS Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetic acid methyl ester IUPAC Name: methyl 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetate Traditional Name: 2-[2,6-diketo-7-(2-methoxyphenyl)-3-methyl-8-piperazino-purin-1-yl]acetic acid methyl ester Formula: C20H24N6O5 MolecularWeight: 428.44176

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)OC)N(C(=N2)N3CCNCC3)C4=CC=CC=C4OC

InChI

InChI=1S/C20H24N6O5/c1-23-17-16(18(28)25(20(23)29)12-15(27)31-3)26(13-6-4-5-7-14(13)30-2)19(22-17)24-10-8-21-9-11-24/h4-7,21H,8-12H2,1-3H3