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

Systemtic Name: 2-[7-but-2-ynyl-3-methyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-1-yl]ethyl ethanoate Openeye Name: 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-yl-purin-1-yl)ethyl acetate CAS Name: acetic acid 2-[7-but-2-ynyl-3-methyl-2,6-dioxo-8-(1-piperazinyl)-1-purinyl]ethyl ester IUPAC Name: 2-(7-but-2-ynyl-3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-1-yl)ethyl acetate Traditional Name: acetic acid 2-(7-but-2-ynyl-2,6-diketo-3-methyl-8-piperazino-purin-1-yl)ethyl ester Formula: C18H24N6O4 MolecularWeight: 388.42096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4/c1-4-5-8-23-14-15(20-17(23)22-9-6-19-7-10-22)21(3)18(27)24(16(14)26)11-12-28-13(2)25/h19H,6-12H2,1-3H3