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

Systemtic Name: 2-[4-chloranyl-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(4-pyridylmethyl)acetamide CAS Name: 2-[[4-chloro-6-(dipropylamino)-2-pyrimidinyl]thio]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: 2-[4-chloro-6-(dipropylamino)pyrimidin-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide Traditional Name: 2-[[4-chloro-6-(dipropylamino)pyrimidin-2-yl]thio]-N-(4-pyridylmethyl)acetamide Formula: C18H24ClN5OS MolecularWeight: 393.93406

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NCC2=CC=NC=C2)Cl

Isomeric SMILES

CCCN(CCC)C1=CC(=NC(=N1)SCC(=O)NCC2=CC=NC=C2)Cl

InChI

InChI=1S/C18H24ClN5OS/c1-3-9-24(10-4-2)16-11-15(19)22-18(23-16)26-13-17(25)21-12-14-5-7-20-8-6-14/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,21,25)