N-[4-(azepan-1-yl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[4-(1-azepanyl)phenyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N4OS/c1-16-20(17(2)24-22(23-16)28-3)12-13-21(27)25-18-8-10-19(11-9-18)26-14-6-4-5-7-15-26/h8-11H,4-7,12-15H2,1-3H3,(H,25,27)