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

Systemtic Name: 6-chloranyl-N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethyl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethyl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[2-[[(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]ethyl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[2-[(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylethyl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[2-[[(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]ethyl]nicotinamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-28-17-12-18(29-2)26-20(25-17)19(14-6-4-3-5-7-14)30-11-10-23-21(27)15-8-9-16(22)24-13-15/h3-9,12-13,19H,10-11H2,1-2H3,(H,23,27)