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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC=C1C=CC(=O)OCC)SC

Isomeric SMILES

CCCCNC1=NC(=NC=C1/C=C/C(=O)OCC)SC

InChI

InChI=1S/C14H21N3O2S/c1-4-6-9-15-13-11(7-8-12(18)19-5-2)10-16-14(17-13)20-3/h7-8,10H,4-6,9H2,1-3H3,(H,15,16,17)/b8-7+