1-phenethylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 1-phenethylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: malonic acid; 1-phenethylpyrrolo[1,2-a]pyrazin-6-amine CAS Name: 1-phenethyl-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 1-phenethylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: malonic acid; (1-phenethylpyrrolo[1,2-a]pyrazin-6-yl)amine Formula: C33H34N6O4 MolecularWeight: 578.66086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H15N3.C3H4O4/c2*16-15-9-8-14-13(17-10-11-18(14)15)7-6-12-4-2-1-3-5-12;4-2(5)1-3(6)7/h2*1-5,8-11H,6-7,16H2;1H2,(H,4,5)(H,6,7)