N-phenethyl-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-phenethyl-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-phenethyl-2-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-phenethyl-2-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-phenethyl-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-phenethyl-2-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-16(21(25)22-13-12-17-8-4-2-5-9-17)26-20-14-19(23-15-24-20)18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3,(H,22,25)