5-chloranyl-N-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-isopropylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-(propan-2-ylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-(isopropylthio)pyrimidine-4-carboxamide Formula: C16H18ClN3O3S MolecularWeight: 367.85042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=C(C=CC(=C2)OC)OC)Cl

Isomeric SMILES

CC(C)SC1=NC=C(C(=N1)C(=O)NC2=C(C=CC(=C2)OC)OC)Cl

InChI

InChI=1S/C16H18ClN3O3S/c1-9(2)24-16-18-8-11(17)14(20-16)15(21)19-12-7-10(22-3)5-6-13(12)23-4/h5-9H,1-4H3,(H,19,21)