8-ethyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 8-ethyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 8-ethyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 8-ethyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 8-ethyl-1-[2-(4-methoxyphenyl)ethyl]-7-methylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: [8-ethyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-pyrrolo[1,2-a]pyrazin-6-yl]amine; malonic acid Formula: C41H50N6O6 MolecularWeight: 722.8723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H23N3O.C3H4O4/c2*1-4-16-13(2)19(20)22-12-11-21-17(18(16)22)10-7-14-5-8-15(23-3)9-6-14;4-2(5)1-3(6)7/h2*5-6,8-9,11-12H,4,7,10,20H2,1-3H3;1H2,(H,4,5)(H,6,7)