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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCN1C2=C(N=C1N3CCNCC3)N(C(=O)N(C2=O)C)CC(=O)OC(C)(C)C

InChI

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