7-chloranyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 7-chloranyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 7-chloro-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 7-chloro-1-phenethyl-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 7-chloro-1-phenethylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: (7-chloro-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)amine; malonic acid Formula: C33H32Cl2N6O4 MolecularWeight: 647.55098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H14ClN3.C3H4O4/c2*16-12-10-14-13(18-8-9-19(14)15(12)17)7-6-11-4-2-1-3-5-11;4-2(5)1-3(6)7/h2*1-5,8-10H,6-7,17H2;1H2,(H,4,5)(H,6,7)