6-chloranyl-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylphenyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[4-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]phenyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[4-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylphenyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[4-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]phenyl]nicotinamide Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CN=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CN=C(C=C4)Cl)OC

InChI

InChI=1S/C25H21ClN4O3S/c1-32-21-14-22(33-2)30-24(29-21)23(16-6-4-3-5-7-16)34-19-11-9-18(10-12-19)28-25(31)17-8-13-20(26)27-15-17/h3-15,23H,1-2H3,(H,28,31)