N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[2-cyanoethyl(propyl)amino]-5-pyrimidinyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-2-phenylsulfanylacetamide Traditional Name: N-[4-[2-cyanoethyl(propyl)amino]pyrimidin-5-yl]-2-(phenylthio)acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC#N)C1=NC=NC=C1NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCCN(CCC#N)C1=NC=NC=C1NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C18H21N5OS/c1-2-10-23(11-6-9-19)18-16(12-20-14-21-18)22-17(24)13-25-15-7-4-3-5-8-15/h3-5,7-8,12,14H,2,6,10-11,13H2,1H3,(H,22,24)