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

Systemtic Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethanamide Openeye Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl]acetamide CAS Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]acetamide IUPAC Name: 2-[7-(2-methoxyphenyl)-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl]acetamide Traditional Name: 2-[2,6-diketo-7-(2-methoxyphenyl)-3-methyl-8-piperazino-purin-1-yl]acetamide Formula: C19H23N7O4 MolecularWeight: 413.43042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7O4/c1-23-16-15(17(28)25(19(23)29)11-14(20)27)26(12-5-3-4-6-13(12)30-2)18(22-16)24-9-7-21-8-10-24/h3-6,21H,7-11H2,1-2H3,(H2,20,27)