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

Systemtic Name: ethyl (E)-3-[4-(cyclohexylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(cyclohexylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(cyclohexylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(cyclohexylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(cyclohexylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(N=C1NC2CCCCC2)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(N=C1NC2CCCCC2)SC

InChI

InChI=1S/C16H23N3O2S/c1-3-21-14(20)10-9-12-11-17-16(22-2)19-15(12)18-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,17,18,19)/b10-9+