2-methylsulfanyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide

Systemtic Name: 2-methylsulfanyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide Openeye Name: N-[(4-isopropoxyphenyl)methyl]-2-methylsulfanyl-4-phenyl-pyrimidine-5-carboxamide CAS Name: 2-(methylthio)-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrimidinecarboxamide IUPAC Name: 2-methylsulfanyl-4-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide Traditional Name: N-(4-isopropoxybenzyl)-2-(methylthio)-4-phenyl-pyrimidine-5-carboxamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CNC(=O)C2=CN=C(N=C2C3=CC=CC=C3)SC

InChI

InChI=1S/C22H23N3O2S/c1-15(2)27-18-11-9-16(10-12-18)13-23-21(26)19-14-24-22(28-3)25-20(19)17-7-5-4-6-8-17/h4-12,14-15H,13H2,1-3H3,(H,23,26)