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

Systemtic Name: 8-ethyl-7-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 8-ethyl-7-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 8-ethyl-7-methyl-1-phenethyl-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 8-ethyl-7-methyl-1-phenethylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: (8-ethyl-7-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)amine; malonic acid Formula: C39H46N6O4 MolecularWeight: 662.82034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC=CN2C(=C1C)N)CCC3=CC=CC=C3.CCC1=C2C(=NC=CN2C(=C1C)N)CCC3=CC=CC=C3.C(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C2C(=NC=CN2C(=C1C)N)CCC3=CC=CC=C3.CCC1=C2C(=NC=CN2C(=C1C)N)CCC3=CC=CC=C3.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C18H21N3.C3H4O4/c2*1-3-15-13(2)18(19)21-12-11-20-16(17(15)21)10-9-14-7-5-4-6-8-14;4-2(5)1-3(6)7/h2*4-8,11-12H,3,9-10,19H2,1-2H3;1H2,(H,4,5)(H,6,7)