N-(2,6-dimethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C21H21N3OS MolecularWeight: 363.47594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3OS/c1-15-7-6-8-16(2)21(15)24-19(25)11-12-26-20-13-18(22-14-23-20)17-9-4-3-5-10-17/h3-10,13-14H,11-12H2,1-2H3,(H,24,25)