5-chloranyl-N-(3,4-dipropoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(3,4-dipropoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(3,4-dipropoxyphenyl)-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(3,4-dipropoxyphenyl)-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(3,4-dipropoxyphenyl)-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(3,4-dipropoxyphenyl)-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SC)OCCC

InChI

InChI=1S/C18H22ClN3O3S/c1-4-8-24-14-7-6-12(10-15(14)25-9-5-2)21-17(23)16-13(19)11-20-18(22-16)26-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,21,23)