5-chloranyl-N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-(2,5-dimethoxyphenyl)-2-[(3-methylbenzyl)thio]pyrimidine-4-carboxamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C=CC(=C3)OC)OC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C=CC(=C3)OC)OC)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-13-5-4-6-14(9-13)12-29-21-23-11-16(22)19(25-21)20(26)24-17-10-15(27-2)7-8-18(17)28-3/h4-11H,12H2,1-3H3,(H,24,26)