N-[azanyl-(isoquinolin-5-ylamino)methylidene]-5-methyl-2H-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[azanyl-(isoquinolin-5-ylamino)methylidene]-5-methyl-2H-1,2,3-triazole-4-carboxamide Openeye Name: N-[amino-(5-isoquinolylamino)methylene]-5-methyl-2H-triazole-4-carboxamide CAS Name: N-[amino-(5-isoquinolinylamino)methylidene]-5-methyl-2H-triazole-4-carboxamide IUPAC Name: N-[amino-(isoquinolin-5-ylamino)methylidene]-5-methyl-2H-triazole-4-carboxamide Traditional Name: N-[amino-(5-isoquinolylamino)methylene]-5-methyl-2H-triazole-4-carboxamide Formula: C14H13N7O MolecularWeight: 295.29932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNN=C1C(=O)N=C(N)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=NNN=C1C(=O)N=C(N)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C14H13N7O/c1-8-12(20-21-19-8)13(22)18-14(15)17-11-4-2-3-9-7-16-6-5-10(9)11/h2-7H,1H3,(H,19,20,21)(H3,15,17,18,22)