dimethyl (E)-2-[1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-oxidanylidene-cyclohexyl]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-oxidanylidene-cyclohexyl]but-2-enedioate Openeye Name: dimethyl (E)-2-[1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-oxo-cyclohexyl]but-2-enedioate CAS Name: (E)-2-[1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-oxocyclohexyl]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[1-[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-2-oxocyclohexyl]but-2-enedioate Traditional Name: (E)-2-[1-[4,6-bis(dimethylamino)-s-triazin-2-yl]-2-keto-cyclohexyl]but-2-enedioic acid dimethyl ester Formula: C19H27N5O5 MolecularWeight: 405.44818

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)C2(CCCCC2=O)C(=CC(=O)OC)C(=O)OC)N(C)C

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)C2(CCCCC2=O)/C(=C\C(=O)OC)/C(=O)OC)N(C)C

InChI

InChI=1S/C19H27N5O5/c1-23(2)17-20-16(21-18(22-17)24(3)4)19(10-8-7-9-13(19)25)12(15(27)29-6)11-14(26)28-5/h11H,7-10H2,1-6H3/b12-11-