8-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 8-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: malonic acid; 8-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine CAS Name: 8-methyl-1-phenethyl-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 8-methyl-1-phenethylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: malonic acid; (8-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)amine Formula: C35H38N6O4 MolecularWeight: 606.71402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=CN2C(=C1)N)CCC3=CC=CC=C3.CC1=C2C(=NC=CN2C(=C1)N)CCC3=CC=CC=C3.C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C2C(=NC=CN2C(=C1)N)CCC3=CC=CC=C3.CC1=C2C(=NC=CN2C(=C1)N)CCC3=CC=CC=C3.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C16H17N3.C3H4O4/c2*1-12-11-15(17)19-10-9-18-14(16(12)19)8-7-13-5-3-2-4-6-13;4-2(5)1-3(6)7/h2*2-6,9-11H,7-8,17H2,1H3;1H2,(H,4,5)(H,6,7)