N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-ethyl-propanamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-ethyl-propanamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-ethyl-propanamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-ethylpropanamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-ethylpropanamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-ethyl-propionamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H28N4O4S/c1-5-26(21(28)9-7-17-14(2)23-22(31-4)24-15(17)3)13-20(27)25-16-6-8-18-19(12-16)30-11-10-29-18/h6,8,12H,5,7,9-11,13H2,1-4H3,(H,25,27)