2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-phenylpropyl)propanamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-phenylpropyl)propanamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(2-phenylpropyl)propionamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(C)SC1=NC=C(C(=N1)N)C#N)C2=CC=CC=C2

Isomeric SMILES

CC(CNC(=O)C(C)SC1=NC=C(C(=N1)N)C#N)C2=CC=CC=C2

InChI

InChI=1S/C17H19N5OS/c1-11(13-6-4-3-5-7-13)9-20-16(23)12(2)24-17-21-10-14(8-18)15(19)22-17/h3-7,10-12H,9H2,1-2H3,(H,20,23)(H2,19,21,22)