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ethyl 3-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)sulfanylpropanoate

ethyl 3-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)sulfanylpropanoate

Systemtic Name:ethyl 3-(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)sulfanylpropanoate
Openeye Name:ethyl 3-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)sulfanylpropanoate
CAS Name:3-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]thio]propanoic acid ethyl ester
IUPAC Name:ethyl 3-(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)sulfanylpropanoate
Traditional Name:3-[(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)thio]propionic acid ethyl ester
Formula: C19H26N6O3S
MolecularWeight: 418.51314
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCOC(=O)CCSC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C19H26N6O3S/c1-4-6-10-25-15-16(21-18(25)24-11-8-20-9-12-24)22-19(23(3)17(15)27)29-13-7-14(26)28-5-2/h20H,5,7-13H2,1-3H3


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