8-bromanyl-7-methyl-1-[2-(3-methylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 8-bromanyl-7-methyl-1-[2-(3-methylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 8-bromo-7-methyl-1-[2-(m-tolyl)ethyl]pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 8-bromo-7-methyl-1-[2-(3-methylphenyl)ethyl]-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 8-bromo-7-methyl-1-[2-(3-methylphenyl)ethyl]pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: [8-bromo-7-methyl-1-[2-(m-tolyl)ethyl]pyrrolo[1,2-a]pyrazin-6-yl]amine; malonic acid Formula: C37H40Br2N6O4 MolecularWeight: 792.5593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCC2=NC=CN3C2=C(C(=C3N)C)Br.CC1=CC(=CC=C1)CCC2=NC=CN3C2=C(C(=C3N)C)Br.C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CCC2=NC=CN3C2=C(C(=C3N)C)Br.CC1=CC(=CC=C1)CCC2=NC=CN3C2=C(C(=C3N)C)Br.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C17H18BrN3.C3H4O4/c2*1-11-4-3-5-13(10-11)6-7-14-16-15(18)12(2)17(19)21(16)9-8-20-14;4-2(5)1-3(6)7/h2*3-5,8-10H,6-7,19H2,1-2H3;1H2,(H,4,5)(H,6,7)