but-2-ynyl N-[[3-[4-(diethylamino)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate

Systemtic Name: but-2-ynyl N-[[3-[4-(diethylamino)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate Openeye Name: but-2-ynyl N-[[3-[4-(diethylamino)-2-pyrimidin-2-yl-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate CAS Name: N-[[3-[4-(diethylamino)-2-(2-pyrimidinyl)-5-thiazolyl]-1H-pyrazol-5-yl]methyl]carbamic acid but-2-ynyl ester IUPAC Name: but-2-ynyl N-[[3-[4-(diethylamino)-2-pyrimidin-2-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate Traditional Name: N-[[3-[4-(diethylamino)-2-(2-pyrimidyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamic acid but-2-ynyl ester Formula: C20H23N7O2S MolecularWeight: 425.50732

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(SC(=N1)C2=NC=CC=N2)C3=NNC(=C3)CNC(=O)OCC#CC

Isomeric SMILES

CCN(CC)C1=C(SC(=N1)C2=NC=CC=N2)C3=NNC(=C3)CNC(=O)OCC#CC

InChI

InChI=1S/C20H23N7O2S/c1-4-7-11-29-20(28)23-13-14-12-15(26-25-14)16-18(27(5-2)6-3)24-19(30-16)17-21-9-8-10-22-17/h8-10,12H,5-6,11,13H2,1-3H3,(H,23,28)(H,25,26)