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

Systemtic Name: 2-[7-(2-ethenylphenyl)-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]ethanamide Openeye Name: 2-[1-methyl-2,6-dioxo-8-piperazin-1-yl-7-(2-vinylphenyl)purin-3-yl]acetamide CAS Name: 2-[7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]acetamide IUPAC Name: 2-[7-(2-ethenylphenyl)-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl]acetamide Traditional Name: 2-[2,6-diketo-1-methyl-8-piperazino-7-(2-vinylphenyl)purin-3-yl]acetamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3C=C)N4CCNCC4)N(C1=O)CC(=O)N

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2C3=CC=CC=C3C=C)N4CCNCC4)N(C1=O)CC(=O)N

InChI

InChI=1S/C20H23N7O3/c1-3-13-6-4-5-7-14(13)27-16-17(23-19(27)25-10-8-22-9-11-25)26(12-15(21)28)20(30)24(2)18(16)29/h3-7,22H,1,8-12H2,2H3,(H2,21,28)