7-bromanyl-1-[2-(2-chlorophenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 7-bromanyl-1-[2-(2-chlorophenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 7-bromo-1-[2-(2-chlorophenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 7-bromo-1-[2-(2-chlorophenyl)ethyl]-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 7-bromo-1-[2-(2-chlorophenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: [7-bromo-1-[2-(2-chlorophenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]amine; malonic acid Formula: C33H30Br2Cl2N6O4 MolecularWeight: 805.3431

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC2=NC=CN3C2=CC(=C3N)Br)Cl.C1=CC=C(C(=C1)CCC2=NC=CN3C2=CC(=C3N)Br)Cl.C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCC2=NC=CN3C2=CC(=C3N)Br)Cl.C1=CC=C(C(=C1)CCC2=NC=CN3C2=CC(=C3N)Br)Cl.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C15H13BrClN3.C3H4O4/c2*16-11-9-14-13(19-7-8-20(14)15(11)18)6-5-10-3-1-2-4-12(10)17;4-2(5)1-3(6)7/h2*1-4,7-9H,5-6,18H2;1H2,(H,4,5)(H,6,7)