6-[4-(4-azanylidene-1,2,3-benzotriazin-3-yl)phenyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[4-(4-azanylidene-1,2,3-benzotriazin-3-yl)phenyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[4-(4-imino-1,2,3-benzotriazin-3-yl)phenyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[4-(4-imino-1,2,3-benzotriazin-3-yl)phenyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[4-(4-imino-1,2,3-benzotriazin-3-yl)phenyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[4-(4-imino-1,2,3-benzotriazin-3-yl)phenyl]-s-triazin-2-yl]amine Formula: C16H13N9 MolecularWeight: 331.33472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=N)N(N=N2)C3=CC=C(C=C3)C4=NC(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=N)N(N=N2)C3=CC=C(C=C3)C4=NC(=NC(=N4)N)N

InChI

InChI=1S/C16H13N9/c17-13-11-3-1-2-4-12(11)23-24-25(13)10-7-5-9(6-8-10)14-20-15(18)22-16(19)21-14/h1-8,17H,(H4,18,19,20,21,22)