methyl (E)-3-[4-(2-chlorophenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidin-5-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(2-chlorophenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidin-5-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(2-chlorophenyl)-6-(1-ethylpropylamino)-2-methylsulfanyl-pyrimidin-5-yl]prop-2-enoate CAS Name: (E)-3-[4-(2-chlorophenyl)-2-(methylthio)-6-(pentan-3-ylamino)-5-pyrimidinyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(2-chlorophenyl)-2-methylsulfanyl-6-(pentan-3-ylamino)pyrimidin-5-yl]prop-2-enoate Traditional Name: (E)-3-[4-(2-chlorophenyl)-6-(1-ethylpropylamino)-2-(methylthio)pyrimidin-5-yl]acrylic acid methyl ester Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC(=C1C=CC(=O)OC)C2=CC=CC=C2Cl)SC

Isomeric SMILES

CCC(CC)NC1=NC(=NC(=C1/C=C/C(=O)OC)C2=CC=CC=C2Cl)SC

InChI

InChI=1S/C20H24ClN3O2S/c1-5-13(6-2)22-19-15(11-12-17(25)26-3)18(23-20(24-19)27-4)14-9-7-8-10-16(14)21/h7-13H,5-6H2,1-4H3,(H,22,23,24)/b12-11+