N-[bis(azanyl)methylidene]-2-(6-methylpyridin-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-2-(6-methylpyridin-2-yl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(diaminomethylene)-2-(6-methyl-2-pyridyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(diaminomethylidene)-2-(6-methyl-2-pyridinyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(diaminomethylidene)-2-(6-methylpyridin-2-yl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(diaminomethylene)-1-keto-2-(6-methyl-2-pyridyl)isoquinoline-4-carboxamide Formula: C17H15N5O2 MolecularWeight: 321.3333

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N

Isomeric SMILES

CC1=NC(=CC=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)N=C(N)N

InChI

InChI=1S/C17H15N5O2/c1-10-5-4-8-14(20-10)22-9-13(15(23)21-17(18)19)11-6-2-3-7-12(11)16(22)24/h2-9H,1H3,(H4,18,19,21,23)