2-[4-(2-azanylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[4-(2-azanylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]isoindole-1,3-dione Openeye Name: 2-[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]isoindoline-1,3-dione CAS Name: 2-[4-(2-amino-1-benzimidazolyl)-1,3,5-triazin-2-yl]isoindole-1,3-dione IUPAC Name: 2-[4-(2-aminobenzimidazol-1-yl)-1,3,5-triazin-2-yl]isoindole-1,3-dione Traditional Name: 2-[4-(2-aminobenzimidazol-1-yl)-s-triazin-2-yl]isoindoline-1,3-quinone Formula: C18H11N7O2 MolecularWeight: 357.32564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=NC(=N3)N4C5=CC=CC=C5N=C4N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=NC=NC(=N3)N4C5=CC=CC=C5N=C4N

InChI

InChI=1S/C18H11N7O2/c19-16-22-12-7-3-4-8-13(12)24(16)17-20-9-21-18(23-17)25-14(26)10-5-1-2-6-11(10)15(25)27/h1-9H,(H2,19,22)