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

Systemtic Name: ethyl 2-[(7-but-2-ynyl-1-methyl-6-oxidanylidene-8-piperazin-1-yl-purin-2-yl)amino]ethanoate Openeye Name: ethyl 2-[(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-yl-purin-2-yl)amino]acetate CAS Name: 2-[[7-but-2-ynyl-1-methyl-6-oxo-8-(1-piperazinyl)-2-purinyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7-but-2-ynyl-1-methyl-6-oxo-8-piperazin-1-ylpurin-2-yl)amino]acetate Traditional Name: 2-[(7-but-2-ynyl-6-keto-1-methyl-8-piperazino-purin-2-yl)amino]acetic acid ethyl ester Formula: C18H25N7O3 MolecularWeight: 387.4362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

Isomeric SMILES

CCOC(=O)CNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCNCC3)CC#CC

InChI

InChI=1S/C18H25N7O3/c1-4-6-9-25-14-15(22-18(25)24-10-7-19-8-11-24)21-17(23(3)16(14)27)20-12-13(26)28-5-2/h19H,5,7-12H2,1-3H3,(H,20,21)