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

Systemtic Name: ethyl 4-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]butanoate Openeye Name: ethyl 4-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)butanoate CAS Name: 4-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)butanoate Traditional Name: 4-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)butyric acid ethyl ester Formula: C20H28N6O4 MolecularWeight: 416.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)C

Isomeric SMILES

CCOC(=O)CCCN1C(=O)C2=C(N=C(N2CC#CC)N3CCNCC3)N(C1=O)C

InChI

InChI=1S/C20H28N6O4/c1-4-6-11-25-16-17(22-19(25)24-13-9-21-10-14-24)23(3)20(29)26(18(16)28)12-7-8-15(27)30-5-2/h21H,5,7-14H2,1-3H3