2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-6-(4-methyl-1-piperazinyl)-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(4-methylpiperazin-1-yl)-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-6-(4-methylpiperazino)-N-(4-pyridyl)nicotinamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=C(C=C2)C(=O)NC3=CC=NC=C3)SCC4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC(=C(C=C2)C(=O)NC3=CC=NC=C3)SCC4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N5O3S/c1-29-12-14-30(15-13-29)23-7-6-21(24(31)27-19-8-10-26-11-9-19)25(28-23)34-17-18-4-5-20(32-2)16-22(18)33-3/h4-11,16H,12-15,17H2,1-3H3,(H,26,27,31)