ethyl (E)-3-[4-[2,3-bis(oxidanyl)propylamino]-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[2,3-bis(oxidanyl)propylamino]-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(2,3-dihydroxypropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(2,3-dihydroxypropylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(2,3-dihydroxypropylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(glycerylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(N=C1NCC(CO)O)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(N=C1NCC(CO)O)SC

InChI

InChI=1S/C13H19N3O4S/c1-3-20-11(19)5-4-9-6-15-13(21-2)16-12(9)14-7-10(18)8-17/h4-6,10,17-18H,3,7-8H2,1-2H3,(H,14,15,16)/b5-4+