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

Systemtic Name: ethyl (E)-3-[4-(2-methylbutylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(2-methylbutylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(2-methylbutylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(2-methylbutylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(2-methylbutylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C15H23N3O2S MolecularWeight: 309.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC1=NC(=NC=C1C=CC(=O)OCC)SC

Isomeric SMILES

CCC(C)CNC1=NC(=NC=C1/C=C/C(=O)OCC)SC

InChI

InChI=1S/C15H23N3O2S/c1-5-11(3)9-16-14-12(7-8-13(19)20-6-2)10-17-15(18-14)21-4/h7-8,10-11H,5-6,9H2,1-4H3,(H,16,17,18)/b8-7+