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

Systemtic Name: prop-2-ynyl N-[[3-[4-(ethylaminomethyl)-2-pyrimidin-5-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate Openeye Name: prop-2-ynyl N-[[3-[4-(ethylaminomethyl)-2-pyrimidin-5-yl-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate CAS Name: N-[[3-[4-(ethylaminomethyl)-2-(5-pyrimidinyl)-5-thiazolyl]-1H-pyrazol-5-yl]methyl]carbamic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl N-[[3-[4-(ethylaminomethyl)-2-pyrimidin-5-yl-1,3-thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamate Traditional Name: N-[[3-[4-(ethylaminomethyl)-2-(5-pyrimidyl)thiazol-5-yl]-1H-pyrazol-5-yl]methyl]carbamic acid propargyl ester Formula: C18H19N7O2S MolecularWeight: 397.45416

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(SC(=N1)C2=CN=CN=C2)C3=NNC(=C3)CNC(=O)OCC#C

Isomeric SMILES

CCNCC1=C(SC(=N1)C2=CN=CN=C2)C3=NNC(=C3)CNC(=O)OCC#C

InChI

InChI=1S/C18H19N7O2S/c1-3-5-27-18(26)22-9-13-6-14(25-24-13)16-15(10-19-4-2)23-17(28-16)12-7-20-11-21-8-12/h1,6-8,11,19H,4-5,9-10H2,2H3,(H,22,26)(H,24,25)