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

Systemtic Name: 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-phenyl-pyrazine-2-carboxamide Openeye Name: 3-amino-5-(azepan-1-yl)-N-(diaminomethylene)-6-phenyl-pyrazine-2-carboxamide CAS Name: 3-amino-5-(1-azepanyl)-N-(diaminomethylidene)-6-phenyl-2-pyrazinecarboxamide IUPAC Name: 3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-phenylpyrazine-2-carboxamide Traditional Name: 3-amino-5-(azepan-1-yl)-N-(diaminomethylene)-6-phenyl-pyrazinamide Formula: C18H23N7O MolecularWeight: 353.42152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(C(=N2)N)C(=O)N=C(N)N)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(C(=N2)N)C(=O)N=C(N)N)C3=CC=CC=C3

InChI

InChI=1S/C18H23N7O/c19-15-14(17(26)24-18(20)21)22-13(12-8-4-3-5-9-12)16(23-15)25-10-6-1-2-7-11-25/h3-5,8-9H,1-2,6-7,10-11H2,(H2,19,23)(H4,20,21,24,26)