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

Systemtic Name: ethyl 2-[7-butan-2-yl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]propanoate Openeye Name: ethyl 2-(1-methyl-2,6-dioxo-8-piperazin-1-yl-7-sec-butyl-purin-3-yl)propanoate CAS Name: 2-[7-butan-2-yl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-(7-butan-2-yl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)propanoate Traditional Name: 2-(2,6-diketo-1-methyl-8-piperazino-7-sec-butyl-purin-3-yl)propionic acid ethyl ester Formula: C19H30N6O4 MolecularWeight: 406.4793

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)C(=O)OCC

Isomeric SMILES

CCC(C)N1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)C(C)C(=O)OCC

InChI

InChI=1S/C19H30N6O4/c1-6-12(3)24-14-15(21-18(24)23-10-8-20-9-11-23)25(13(4)17(27)29-7-2)19(28)22(5)16(14)26/h12-13,20H,6-11H2,1-5H3