1-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]cinnolin-4-one Openeye Name: 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]cinnolin-4-one CAS Name: 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-4-cinnolinone IUPAC Name: 1-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]cinnolin-4-one Traditional Name: 1-[(4,6-diamino-s-triazin-2-yl)methyl]cinnolin-4-one Formula: C12H11N7O MolecularWeight: 269.26204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=NN2CC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=NN2CC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C12H11N7O/c13-11-16-10(17-12(14)18-11)6-19-8-4-2-1-3-7(8)9(20)5-15-19/h1-5H,6H2,(H4,13,14,16,17,18)