ethyl 3-[4-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]propanoate

Systemtic Name: ethyl 3-[4-[7-ethyl-3-methyl-2,6-bis(oxidanylidene)purin-8-yl]piperazin-1-yl]propanoate Openeye Name: ethyl 3-[4-(7-ethyl-3-methyl-2,6-dioxo-purin-8-yl)piperazin-1-yl]propanoate CAS Name: 3-[4-(7-ethyl-3-methyl-2,6-dioxo-8-purinyl)-1-piperazinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(7-ethyl-3-methyl-2,6-dioxopurin-8-yl)piperazin-1-yl]propanoate Traditional Name: 3-[4-(7-ethyl-2,6-diketo-3-methyl-purin-8-yl)piperazino]propionic acid ethyl ester Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1N3CCN(CC3)CCC(=O)OCC)N(C(=O)NC2=O)C

Isomeric SMILES

CCN1C2=C(N=C1N3CCN(CC3)CCC(=O)OCC)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H26N6O4/c1-4-23-13-14(20(3)17(26)19-15(13)25)18-16(23)22-10-8-21(9-11-22)7-6-12(24)27-5-2/h4-11H2,1-3H3,(H,19,25,26)