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

Systemtic Name: N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[[4-(indolin-1-ylmethyl)phenyl]methyl]propanamide CAS Name: N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-[4-(indolin-1-ylmethyl)benzyl]propionamide Formula: C26H30N4OS MolecularWeight: 446.6076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)CN3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NCC2=CC=C(C=C2)CN3CCC4=CC=CC=C43

InChI

InChI=1S/C26H30N4OS/c1-18-23(19(2)29-26(28-18)32-3)12-13-25(31)27-16-20-8-10-21(11-9-20)17-30-15-14-22-6-4-5-7-24(22)30/h4-11H,12-17H2,1-3H3,(H,27,31)