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

Systemtic Name: ethyl (E)-3-[4-(ethylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(ethylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(ethylamino)-2-(methylthio)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(ethylamino)-2-methylsulfanylpyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(ethylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C=CC(=O)OCC)SC

Isomeric SMILES

CCNC1=NC(=NC=C1/C=C/C(=O)OCC)SC

InChI

InChI=1S/C12H17N3O2S/c1-4-13-11-9(6-7-10(16)17-5-2)8-14-12(15-11)18-3/h6-8H,4-5H2,1-3H3,(H,13,14,15)/b7-6+