N-(5-cyano-2-methylsulfanyl-pyrimidin-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide

Systemtic Name: N-(5-cyano-2-methylsulfanyl-pyrimidin-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide Openeye Name: N-(5-cyano-2-methylsulfanyl-pyrimidin-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide CAS Name: N-[5-cyano-2-(methylthio)-4-pyrimidinyl]-3-(2,3,4-trimethoxyphenyl)-2-propenamide IUPAC Name: N-(5-cyano-2-methylsulfanylpyrimidin-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide Traditional Name: N-[5-cyano-2-(methylthio)pyrimidin-4-yl]-3-(2,3,4-trimethoxyphenyl)acrylamide Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC(=O)NC2=NC(=NC=C2C#N)SC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=CC(=O)NC2=NC(=NC=C2C#N)SC)OC)OC

InChI

InChI=1S/C18H18N4O4S/c1-24-13-7-5-11(15(25-2)16(13)26-3)6-8-14(23)21-17-12(9-19)10-20-18(22-17)27-4/h5-8,10H,1-4H3,(H,20,21,22,23)