7-methylsulfanyl-1-(phenylmethylsulfanyl)pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid

Systemtic Name: 7-methylsulfanyl-1-(phenylmethylsulfanyl)pyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Openeye Name: 1-benzylsulfanyl-7-methylsulfanyl-pyrrolo[1,2-a]pyrazin-6-amine; malonic acid CAS Name: 7-(methylthio)-1-(phenylmethylthio)-6-pyrrolo[1,2-a]pyrazinamine; propanedioic acid IUPAC Name: 1-benzylsulfanyl-7-methylsulfanylpyrrolo[1,2-a]pyrazin-6-amine; propanedioic acid Traditional Name: [1-(benzylthio)-7-(methylthio)pyrrolo[1,2-a]pyrazin-6-yl]amine; malonic acid Formula: C33H34N6O4S4 MolecularWeight: 706.92086

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(N2C=CN=C(C2=C1)SCC3=CC=CC=C3)N.CSC1=C(N2C=CN=C(C2=C1)SCC3=CC=CC=C3)N.C(C(=O)O)C(=O)O

Isomeric SMILES

CSC1=C(N2C=CN=C(C2=C1)SCC3=CC=CC=C3)N.CSC1=C(N2C=CN=C(C2=C1)SCC3=CC=CC=C3)N.C(C(=O)O)C(=O)O

InChI

InChI=1S/2C15H15N3S2.C3H4O4/c2*1-19-13-9-12-15(17-7-8-18(12)14(13)16)20-10-11-5-3-2-4-6-11;4-2(5)1-3(6)7/h2*2-9H,10,16H2,1H3;1H2,(H,4,5)(H,6,7)