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ethyl 3-[(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)amino]propanoate

ethyl 3-[(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)amino]propanoate

Systemtic Name:ethyl 3-[(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)amino]propanoate
Openeye Name:ethyl 3-[(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)amino]propanoate
CAS Name:3-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]amino]propanoic acid ethyl ester
IUPAC Name:ethyl 3-[(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)amino]propanoate
Traditional Name:3-[(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)amino]propionic acid ethyl ester
Formula: C19H27N7O3
MolecularWeight: 401.46278
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


Isomeric SMILES

CCOC(=O)CCNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC


InChI

InChI=1S/C19H27N7O3/c1-4-6-11-26-15-16(23-19(26)25-12-9-20-10-13-25)22-18(24(3)17(15)28)21-8-7-14(27)29-5-2/h20H,5,7-13H2,1-3H3,(H,21,22)


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