ethyl 2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]butanoate

Systemtic Name: ethyl 2-[7-but-2-ynyl-1-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-3-yl]butanoate Openeye Name: ethyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-yl-purin-3-yl)butanoate CAS Name: 2-[7-but-2-ynyl-1-methyl-2,6-dioxo-8-(1-piperazinyl)-3-purinyl]butanoic acid ethyl ester IUPAC Name: ethyl 2-(7-but-2-ynyl-1-methyl-2,6-dioxo-8-piperazin-1-ylpurin-3-yl)butanoate Traditional Name: 2-(7-but-2-ynyl-2,6-diketo-1-methyl-8-piperazino-purin-3-yl)butyric acid ethyl ester Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)N1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCC(C(=O)OCC)N1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C20H28N6O4/c1-5-8-11-25-15-16(22-19(25)24-12-9-21-10-13-24)26(20(29)23(4)17(15)27)14(6-2)18(28)30-7-3/h14,21H,6-7,9-13H2,1-4H3