(5E)-2-azanylidene-6-ethyl-5-(3-oxidanyl-2-phenyl-benzotriazol-5-ylidene)pyrimidin-4-amine

Systemtic Name: (5E)-2-azanylidene-6-ethyl-5-(3-oxidanyl-2-phenyl-benzotriazol-5-ylidene)pyrimidin-4-amine Openeye Name: (5E)-6-ethyl-5-(3-hydroxy-2-phenyl-benzotriazol-5-ylidene)-2-imino-pyrimidin-4-amine CAS Name: (5E)-6-ethyl-5-(3-hydroxy-2-phenyl-5-benzotriazolylidene)-2-imino-4-pyrimidinamine IUPAC Name: (5E)-6-ethyl-5-(3-hydroxy-2-phenylbenzotriazol-5-ylidene)-2-iminopyrimidin-4-amine Traditional Name: [(5E)-6-ethyl-5-(3-hydroxy-2-phenyl-benzotriazol-5-ylidene)-2-imino-pyrimidin-4-yl]amine Formula: C18H17N7O MolecularWeight: 347.37388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=N)N=C(C1=C2C=CC3=NN(N(C3=C2)O)C4=CC=CC=C4)N

Isomeric SMILES

CCC\1=NC(=N)N=C(/C1=C/2\C=CC3=NN(N(C3=C2)O)C4=CC=CC=C4)N

InChI

InChI=1S/C18H17N7O/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/h3-10,26H,2H2,1H3,(H3,19,20,22)/b16-11+