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

Systemtic Name: ethyl (E)-3-[4-(cycloheptylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(cycloheptylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(cycloheptylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(cycloheptylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(cycloheptylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(N=C1NC2CCCCCC2)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(N=C1NC2CCCCCC2)SC

InChI

InChI=1S/C17H25N3O2S/c1-3-22-15(21)11-10-13-12-18-17(23-2)20-16(13)19-14-8-6-4-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,18,19,20)/b11-10+