6-ethyl-5-(3-oxidanylidene-2-phenyl-1H-benzotriazol-3-ium-5-yl)pyrimidine-2,4-diamine

Systemtic Name: 6-ethyl-5-(3-oxidanylidene-2-phenyl-1H-benzotriazol-3-ium-5-yl)pyrimidine-2,4-diamine Openeye Name: 6-ethyl-5-(3-oxo-2-phenyl-1H-benzotriazol-3-ium-5-yl)pyrimidine-2,4-diamine CAS Name: 6-ethyl-5-(3-oxo-2-phenyl-1H-benzotriazol-3-ium-5-yl)pyrimidine-2,4-diamine IUPAC Name: 6-ethyl-5-(3-oxo-2-phenyl-1H-benzotriazol-3-ium-5-yl)pyrimidine-2,4-diamine Traditional Name: [2-amino-6-ethyl-5-(3-keto-2-phenyl-1H-benzotriazol-3-ium-5-yl)pyrimidin-4-yl]amine Formula: C18H18N7O+ MolecularWeight: 348.38182

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)NN([N+]3=O)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)NN([N+]3=O)C4=CC=CC=C4

InChI

InChI=1S/C18H18N7O/c1-2-13-16(17(19)22-18(20)21-13)11-8-9-14-15(10-11)25(26)24(23-14)12-6-4-3-5-7-12/h3-10,23H,2H2,1H3,(H4,19,20,21,22)/q+1