1-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]-3-methyl-thiourea

Systemtic Name: 1-[(6-chloranyl-4-oxidanidyl-quinoxalin-4-ium-2-yl)-methyl-amino]-3-methyl-thiourea Openeye Name: 1-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]-3-methyl-thiourea CAS Name: 1-[(6-chloro-4-oxido-2-quinoxalin-4-iumyl)-methylamino]-3-methylthiourea IUPAC Name: 1-[(6-chloro-4-oxidoquinoxalin-4-ium-2-yl)-methylamino]-3-methylthiourea Traditional Name: 1-[(6-chloro-4-oxido-quinoxalin-4-ium-2-yl)-methyl-amino]-3-methyl-thiourea Formula: C11H12ClN5OS MolecularWeight: 297.76388

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN(C)C1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-]

Isomeric SMILES

CNC(=S)NN(C)C1=C[N+](=C2C=C(C=CC2=N1)Cl)[O-]

InChI

InChI=1S/C11H12ClN5OS/c1-13-11(19)15-16(2)10-6-17(18)9-5-7(12)3-4-8(9)14-10/h3-6H,1-2H3,(H2,13,15,19)