1-[2-(3-butylphenyl)ethyl]-7-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-amine

Systemtic Name: 1-[2-(3-butylphenyl)ethyl]-7-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-amine Openeye Name: 1-[2-(3-butylphenyl)ethyl]-7-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-amine CAS Name: 1-[2-(3-butylphenyl)ethyl]-7-(methylthio)-6-pyrrolo[1,2-a]pyrazinamine IUPAC Name: 1-[2-(3-butylphenyl)ethyl]-7-methylsulfanylpyrrolo[1,2-a]pyrazin-6-amine Traditional Name: [1-[2-(3-butylphenyl)ethyl]-7-(methylthio)pyrrolo[1,2-a]pyrazin-6-yl]amine Formula: C20H25N3S MolecularWeight: 339.4976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)CCC2=NC=CN3C2=CC(=C3N)SC

Isomeric SMILES

CCCCC1=CC=CC(=C1)CCC2=NC=CN3C2=CC(=C3N)SC

InChI

InChI=1S/C20H25N3S/c1-3-4-6-15-7-5-8-16(13-15)9-10-17-18-14-19(24-2)20(21)23(18)12-11-22-17/h5,7-8,11-14H,3-4,6,9-10,21H2,1-2H3