7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-ethyl-4-oxidanylidene-1,6-naphthyridine-3-carboxylic acid

Systemtic Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-ethyl-4-oxidanylidene-1,6-naphthyridine-3-carboxylic acid Openeye Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid CAS Name: 7-[4-[amino(cyanoimino)methyl]-1-piperazinyl]-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid IUPAC Name: 7-[4-(N'-cyanocarbamimidoyl)piperazin-1-yl]-1-ethyl-4-oxo-1,6-naphthyridine-3-carboxylic acid Traditional Name: 7-[4-(N'-cyanoamidino)piperazino]-1-ethyl-4-keto-1,6-naphthyridine-3-carboxylic acid Formula: C17H19N7O3 MolecularWeight: 369.37786

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CN=C(C=C21)N3CCN(CC3)C(=NC#N)N)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CN=C(C=C21)N3CCN(CC3)C(=NC#N)N)C(=O)O

InChI

InChI=1S/C17H19N7O3/c1-2-22-9-12(16(26)27)15(25)11-8-20-14(7-13(11)22)23-3-5-24(6-4-23)17(19)21-10-18/h7-9H,2-6H2,1H3,(H2,19,21)(H,26,27)