1-(4-methylphenyl)pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 1-(4-methylphenyl)pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: malonic acid; 1-(p-tolyl)pyrrolo[1,2-a]pyrazin-6-amine CAS Name: 1-(4-methylphenyl)-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 1-(4-methylphenyl)pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: malonic acid; [1-(p-tolyl)pyrrolo[1,2-a]pyrazin-6-yl]amine Formula: C31H30N6O4 MolecularWeight: 550.6077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC=CN3C2=CC=C3N.CC1=CC=C(C=C1)C2=NC=CN3C2=CC=C3N.C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC=CN3C2=CC=C3N.CC1=CC=C(C=C1)C2=NC=CN3C2=CC=C3N.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C14H13N3.C3H4O4/c2*1-10-2-4-11(5-3-10)14-12-6-7-13(15)17(12)9-8-16-14;4-2(5)1-3(6)7/h2*2-9H,15H2,1H3;1H2,(H,4,5)(H,6,7)