4-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-1H-indole

Systemtic Name: 4-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-1H-indole Openeye Name: 4-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-1H-indole CAS Name: 4-[4-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethyl]-1-piperazinyl]-1H-indole IUPAC Name: 4-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]piperazin-1-yl]-1H-indole Traditional Name: 4-[4-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethyl]piperazino]-1H-indole Formula: C20H25N5S MolecularWeight: 367.511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCN2CCN(CC2)C3=CC=CC4=C3C=CN4)C

InChI

InChI=1S/C20H25N5S/c1-15-14-16(2)23-20(22-15)26-13-12-24-8-10-25(11-9-24)19-5-3-4-18-17(19)6-7-21-18/h3-7,14,21H,8-13H2,1-2H3