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

Systemtic Name: 1-[(E)-2-(3-butylphenyl)ethenyl]-7-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-amine Openeye Name: 1-[(E)-2-(3-butylphenyl)vinyl]-7-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-amine CAS Name: 1-[(E)-2-(3-butylphenyl)ethenyl]-7-(methylthio)-6-pyrrolo[1,2-a]pyrazinamine IUPAC Name: 1-[(E)-2-(3-butylphenyl)ethenyl]-7-methylsulfanylpyrrolo[1,2-a]pyrazin-6-amine Traditional Name: [1-[(E)-2-(3-butylphenyl)vinyl]-7-(methylthio)pyrrolo[1,2-a]pyrazin-6-yl]amine Formula: C20H23N3S MolecularWeight: 337.48172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C=CC2=NC=CN3C2=CC(=C3N)SC

Isomeric SMILES

CCCCC1=CC=CC(=C1)/C=C/C2=NC=CN3C2=CC(=C3N)SC

InChI

InChI=1S/C20H23N3S/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/h5,7-14H,3-4,6,21H2,1-2H3/b10-9+