2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[6-(3-ketopiperazino)-3-pyridyl]nicotinamide Formula: C21H22N6O3S MolecularWeight: 438.50278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H22N6O3S/c1-13-17(14(2)30-26-13)12-31-21-16(4-3-7-23-21)20(29)25-15-5-6-18(24-10-15)27-9-8-22-19(28)11-27/h3-7,10H,8-9,11-12H2,1-2H3,(H,22,28)(H,25,29)