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

Systemtic Name: 8-ethyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 8-ethyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 8-ethyl-1-phenethyl-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 8-ethyl-1-phenethylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: (8-ethyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)amine; malonic acid Formula: C37H42N6O4 MolecularWeight: 634.76718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC=CN2C(=C1)N)CCC3=CC=CC=C3.CCC1=C2C(=NC=CN2C(=C1)N)CCC3=CC=CC=C3.C(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C2C(=NC=CN2C(=C1)N)CCC3=CC=CC=C3.CCC1=C2C(=NC=CN2C(=C1)N)CCC3=CC=CC=C3.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C17H19N3.C3H4O4/c2*1-2-14-12-16(18)20-11-10-19-15(17(14)20)9-8-13-6-4-3-5-7-13;4-2(5)1-3(6)7/h2*3-7,10-12H,2,8-9,18H2,1H3;1H2,(H,4,5)(H,6,7)