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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC(=NC=C1C=CC(=O)OCC)SC

Isomeric SMILES

CCC(C)NC1=NC(=NC=C1/C=C/C(=O)OCC)SC

InChI

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