3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide

Systemtic Name: 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide Openeye Name: 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide CAS Name: 3-amino-5-(1-azepanyl)-6-chloro-N-(diaminomethylidene)-2-pyrazinecarboxamide IUPAC Name: 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide Traditional Name: 3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazinamide Formula: C12H18ClN7O MolecularWeight: 311.77062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

Isomeric SMILES

C1CCCN(CC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

InChI

InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)