5-azanyl-N-[bis(azanyl)methylidene]-3-[butan-2-yl(methyl)amino]-6-chloranyl-pyrazine-2-carboxamide

Systemtic Name: 5-azanyl-N-[bis(azanyl)methylidene]-3-[butan-2-yl(methyl)amino]-6-chloranyl-pyrazine-2-carboxamide Openeye Name: 5-amino-6-chloro-N-(diaminomethylene)-3-[methyl(sec-butyl)amino]pyrazine-2-carboxamide CAS Name: 5-amino-3-[butan-2-yl(methyl)amino]-6-chloro-N-(diaminomethylidene)-2-pyrazinecarboxamide IUPAC Name: 5-amino-3-[butan-2-yl(methyl)amino]-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide Traditional Name: 5-amino-6-chloro-N-(diaminomethylene)-3-[methyl(sec-butyl)amino]pyrazinamide Formula: C11H18ClN7O MolecularWeight: 299.75992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(C)C1=C(N=C(C(=N1)N)Cl)C(=O)N=C(N)N

Isomeric SMILES

CCC(C)N(C)C1=C(N=C(C(=N1)N)Cl)C(=O)N=C(N)N

InChI

InChI=1S/C11H18ClN7O/c1-4-5(2)19(3)9-6(10(20)18-11(14)15)16-7(12)8(13)17-9/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)