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

Systemtic Name: ethyl (E)-3-[2-methylsulfanyl-4-(propan-2-ylamino)pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(isopropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[2-(methylthio)-4-(propan-2-ylamino)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-methylsulfanyl-4-(propan-2-ylamino)pyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(isopropylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(N=C1NC(C)C)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(N=C1NC(C)C)SC

InChI

InChI=1S/C13H19N3O2S/c1-5-18-11(17)7-6-10-8-14-13(19-4)16-12(10)15-9(2)3/h6-9H,5H2,1-4H3,(H,14,15,16)/b7-6+