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

Systemtic Name: 8-bromanyl-7-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 8-bromo-7-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 8-bromo-7-methyl-1-phenethyl-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 8-bromo-7-methyl-1-phenethylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: (8-bromo-7-methyl-1-phenethyl-pyrrolo[1,2-a]pyrazin-6-yl)amine; malonic acid Formula: C35H36Br2N6O4 MolecularWeight: 764.50614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=CN=C(C2=C1Br)CCC3=CC=CC=C3)N.CC1=C(N2C=CN=C(C2=C1Br)CCC3=CC=CC=C3)N.C(C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(N2C=CN=C(C2=C1Br)CCC3=CC=CC=C3)N.CC1=C(N2C=CN=C(C2=C1Br)CCC3=CC=CC=C3)N.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C16H16BrN3.C3H4O4/c2*1-11-14(17)15-13(19-9-10-20(15)16(11)18)8-7-12-5-3-2-4-6-12;4-2(5)1-3(6)7/h2*2-6,9-10H,7-8,18H2,1H3;1H2,(H,4,5)(H,6,7)