methyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-ethyl-amino]-6-methyl-pyrimidine-2-sulfinate

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-ethyl-amino]-6-methyl-pyrimidine-2-sulfinate Openeye Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-ethyl-amino]-6-methyl-pyrimidine-2-sulfinate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-ethylamino]-6-methyl-2-pyrimidinesulfinic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-ethylamino]-6-methylpyrimidine-2-sulfinate Traditional Name: 4-[ethyl-[2-keto-2-(piperonylamino)ethyl]amino]-6-methyl-pyrimidine-2-sulfinic acid methyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=NC(=NC(=C3)C)S(=O)OC

Isomeric SMILES

CCN(CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=NC(=NC(=C3)C)S(=O)OC

InChI

InChI=1S/C18H22N4O5S/c1-4-22(16-7-12(2)20-18(21-16)28(24)25-3)10-17(23)19-9-13-5-6-14-15(8-13)27-11-26-14/h5-8H,4,9-11H2,1-3H3,(H,19,23)