2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-N-(2-cyanoethyl)-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-N-(2-cyanoethyl)-N-(3-pyridylmethyl)acetamide Formula: C21H27ClN6OS MolecularWeight: 446.99668

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N(CCC#N)CC2=CN=CC=C2)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)N(CCC#N)CC2=CN=CC=C2)Cl

InChI

InChI=1S/C21H27ClN6OS/c1-3-10-27(11-4-2)19-13-18(22)25-21(26-19)30-16-20(29)28(12-6-8-23)15-17-7-5-9-24-14-17/h5,7,9,13-14H,3-4,6,10-12,15-16H2,1-2H3