1-(3-chlorophenyl)pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 1-(3-chlorophenyl)pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 1-(3-chlorophenyl)pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 1-(3-chlorophenyl)-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 1-(3-chlorophenyl)pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: [1-(3-chlorophenyl)pyrrolo[1,2-a]pyrazin-6-yl]amine; malonic acid Formula: C29H24Cl2N6O4 MolecularWeight: 591.44466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NC=CN3C2=CC=C3N.C1=CC(=CC(=C1)Cl)C2=NC=CN3C2=CC=C3N.C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NC=CN3C2=CC=C3N.C1=CC(=CC(=C1)Cl)C2=NC=CN3C2=CC=C3N.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C13H10ClN3.C3H4O4/c2*14-10-3-1-2-9(8-10)13-11-4-5-12(15)17(11)7-6-16-13;4-2(5)1-3(6)7/h2*1-8H,15H2;1H2,(H,4,5)(H,6,7)