1-(8-butylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)-N,N-dimethyl-methanamine

Systemtic Name: 1-(8-butylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)-N,N-dimethyl-methanamine Openeye Name: 1-(8-butylsulfanyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)-N,N-dimethyl-methanamine CAS Name: 1-[8-(butylthio)-1-phenethyl-6-pyrrolo[1,2-a]pyrazinyl]-N,N-dimethylmethanamine IUPAC Name: 1-(8-butylsulfanyl-1-phenethylpyrrolo[1,2-a]pyrazin-6-yl)-N,N-dimethylmethanamine Traditional Name: [8-(butylthio)-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl]methyl-dimethyl-amine Formula: C22H29N3S MolecularWeight: 367.55076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C2C(=NC=CN2C(=C1)CN(C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCCSC1=C2C(=NC=CN2C(=C1)CN(C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3S/c1-4-5-15-26-21-16-19(17-24(2)3)25-14-13-23-20(22(21)25)12-11-18-9-7-6-8-10-18/h6-10,13-14,16H,4-5,11-12,15,17H2,1-3H3