ethyl (E)-3-[4-(cyclopropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(cyclopropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(cyclopropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(cyclopropylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(cyclopropylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(cyclopropylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(N=C1NC2CC2)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(N=C1NC2CC2)SC

InChI

InChI=1S/C13H17N3O2S/c1-3-18-11(17)7-4-9-8-14-13(19-2)16-12(9)15-10-5-6-10/h4,7-8,10H,3,5-6H2,1-2H3,(H,14,15,16)/b7-4+