1-[(E)-(2-azanylidene-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-6-yl)methylideneamino]-3-butyl-urea

Systemtic Name: 1-[(E)-(2-azanylidene-3-cyano-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-6-yl)methylideneamino]-3-butyl-urea Openeye Name: 1-butyl-3-[(E)-(3-cyano-1-hydroxy-2-imino-4-oxido-quinoxalin-4-ium-6-yl)methyleneamino]urea CAS Name: 1-butyl-3-[(E)-(3-cyano-1-hydroxy-2-imino-4-oxido-6-quinoxalin-4-iumyl)methylideneamino]urea IUPAC Name: 1-butyl-3-[(E)-(3-cyano-1-hydroxy-2-imino-4-oxidoquinoxalin-4-ium-6-yl)methylideneamino]urea Traditional Name: 1-butyl-3-[(E)-(3-cyano-1-hydroxy-2-imino-4-oxido-quinoxalin-4-ium-6-yl)methyleneamino]urea Formula: C15H17N7O3 MolecularWeight: 343.34058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NN=CC1=CC2=C(C=C1)N(C(=N)C(=[N+]2[O-])C#N)O

Isomeric SMILES

CCCCNC(=O)N/N=C/C1=CC2=C(C=C1)N(C(=N)C(=[N+]2[O-])C#N)O

InChI

InChI=1S/C15H17N7O3/c1-2-3-6-18-15(23)20-19-9-10-4-5-11-12(7-10)21(24)13(8-16)14(17)22(11)25/h4-5,7,9,17,25H,2-3,6H2,1H3,(H2,18,20,23)/b17-14?,19-9+