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

Systemtic Name: 5-(1-azacyclotridec-1-yl)-3-azanyl-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide Openeye Name: 3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide CAS Name: 3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylidene)-2-pyrazinecarboxamide IUPAC Name: 3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide Traditional Name: 3-amino-5-(azacyclotridec-1-yl)-6-chloro-N-(diaminomethylene)pyrazinamide Formula: C18H30ClN7O MolecularWeight: 395.9301

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCCN(CCCCC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

Isomeric SMILES

C1CCCCCCN(CCCCC1)C2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N

InChI

InChI=1S/C18H30ClN7O/c19-14-16(24-15(20)13(23-14)17(27)25-18(21)22)26-11-9-7-5-3-1-2-4-6-8-10-12-26/h1-12H2,(H2,20,24)(H4,21,22,25,27)