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

Systemtic Name: 8-ethyl-1-[(4-methoxyphenyl)methyl]-7-methyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 8-ethyl-1-[(4-methoxyphenyl)methyl]-7-methyl-pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 8-ethyl-1-[(4-methoxyphenyl)methyl]-7-methyl-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 8-ethyl-1-[(4-methoxyphenyl)methyl]-7-methylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: (8-ethyl-7-methyl-1-p-anisyl-pyrrolo[1,2-a]pyrazin-6-yl)amine; malonic acid Formula: C39H46N6O6 MolecularWeight: 694.81914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=NC=CN2C(=C1C)N)CC3=CC=C(C=C3)OC.CCC1=C2C(=NC=CN2C(=C1C)N)CC3=CC=C(C=C3)OC.C(C(=O)O)C(=O)O

Isomeric SMILES

CCC1=C2C(=NC=CN2C(=C1C)N)CC3=CC=C(C=C3)OC.CCC1=C2C(=NC=CN2C(=C1C)N)CC3=CC=C(C=C3)OC.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C18H21N3O.C3H4O4/c2*1-4-15-12(2)18(19)21-10-9-20-16(17(15)21)11-13-5-7-14(22-3)8-6-13;4-2(5)1-3(6)7/h2*5-10H,4,11,19H2,1-3H3;1H2,(H,4,5)(H,6,7)