8-bromanyl-1-phenyl-6-thiophen-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine; ethanedioic acid

Systemtic Name: 8-bromanyl-1-phenyl-6-thiophen-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine; ethanedioic acid Openeye Name: 8-bromo-1-phenyl-6-(3-thienyl)-3,4-dihydropyrrolo[1,2-a]pyrazine; oxalic acid CAS Name: 8-bromo-1-phenyl-6-(3-thiophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine; oxalic acid IUPAC Name: 8-bromo-1-phenyl-6-thiophen-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine; oxalic acid Traditional Name: 8-bromo-1-phenyl-6-(3-thienyl)-3,4-dihydropyrrolo[1,2-a]pyrazine; oxalic acid Formula: C19H15BrN2O4S MolecularWeight: 447.3024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=CC(=C2C(=N1)C3=CC=CC=C3)Br)C4=CSC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN2C(=CC(=C2C(=N1)C3=CC=CC=C3)Br)C4=CSC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H13BrN2S.C2H2O4/c18-14-10-15(13-6-9-21-11-13)20-8-7-19-16(17(14)20)12-4-2-1-3-5-12;3-1(4)2(5)6/h1-6,9-11H,7-8H2;(H,3,4)(H,5,6)