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ethyl 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxyethanoate

ethyl 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxyethanoate

Systemtic Name:ethyl 2-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)oxyethanoate
Openeye Name:ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)oxyacetate
CAS Name:2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]oxy]acetic acid ethyl ester
IUPAC Name:ethyl 2-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)oxyacetate
Traditional Name:2-(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)oxyacetic acid ethyl ester
Formula: C18H24N6O4
MolecularWeight: 388.42096
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCOC(=O)COC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


InChI

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


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