5-[[bis(azanyl)methylideneamino]methyl]-3-(6-carbamimidoylnaphthalen-2-yl)furan-2-carboxylic acid

Systemtic Name: 5-[[bis(azanyl)methylideneamino]methyl]-3-(6-carbamimidoylnaphthalen-2-yl)furan-2-carboxylic acid Openeye Name: 3-(6-carbamimidoyl-2-naphthyl)-5-(guanidinomethyl)furan-2-carboxylic acid CAS Name: 3-(6-carbamimidoyl-2-naphthalenyl)-5-[(diaminomethylideneamino)methyl]-2-furancarboxylic acid IUPAC Name: 3-(6-carbamimidoylnaphthalen-2-yl)-5-[(diaminomethylideneamino)methyl]furan-2-carboxylic acid Traditional Name: 3-(6-amidino-2-naphthyl)-5-(guanidinomethyl)-2-furoic acid Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)C(=N)N)C=C1C3=C(OC(=C3)CN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)C(=N)N)C=C1C3=C(OC(=C3)CN=C(N)N)C(=O)O

InChI

InChI=1S/C18H17N5O3/c19-16(20)12-4-2-9-5-11(3-1-10(9)6-12)14-7-13(8-23-18(21)22)26-15(14)17(24)25/h1-7H,8H2,(H3,19,20)(H,24,25)(H4,21,22,23)