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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC=C1C=CC(=O)OCC)SC

Isomeric SMILES

CCCNC1=NC(=NC=C1/C=C/C(=O)OCC)SC

InChI

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