tert-butyl 4-[4-methoxy-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-methoxy-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-methoxy-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-methoxy-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-methoxy-6-(prop-2-ynylamino)-1,3,5-triazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-methoxy-6-(propargylamino)-s-triazin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)OC)NCC#C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)OC)NCC#C

InChI

InChI=1S/C16H24N6O3/c1-6-7-17-12-18-13(20-14(19-12)24-5)21-8-10-22(11-9-21)15(23)25-16(2,3)4/h1H,7-11H2,2-5H3,(H,17,18,19,20)