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

Systemtic Name: ethyl (E)-3-[2-methylsulfanyl-4-(2-phenylmethoxyethylamino)pyrimidin-5-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-(2-benzyloxyethylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[2-(methylthio)-4-(2-phenylmethoxyethylamino)-5-pyrimidinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[2-methylsulfanyl-4-(2-phenylmethoxyethylamino)pyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(2-benzoxyethylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid ethyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CN=C(N=C1NCCOCC2=CC=CC=C2)SC

Isomeric SMILES

CCOC(=O)/C=C/C1=CN=C(N=C1NCCOCC2=CC=CC=C2)SC

InChI

InChI=1S/C19H23N3O3S/c1-3-25-17(23)10-9-16-13-21-19(26-2)22-18(16)20-11-12-24-14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,20,21,22)/b10-9+