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

Systemtic Name: ethyl (E)-3-[4-(2-methylpropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(isobutylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(2-methylpropylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(2-methylpropylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(isobutylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S/c1-5-19-12(18)7-6-11-9-16-14(20-4)17-13(11)15-8-10(2)3/h6-7,9-10H,5,8H2,1-4H3,(H,15,16,17)/b7-6+