N-[4,6-bis(pyridin-3-ylcarbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[4,6-bis(pyridin-3-ylcarbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide Openeye Name: N-[4,6-bis(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide CAS Name: N-[4,6-bis[[oxo(3-pyridinyl)methyl]amino]-1,3,5-triazin-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[4,6-bis(pyridine-3-carbonylamino)-1,3,5-triazin-2-yl]pyridine-3-carboxamide Traditional Name: N-(4,6-dinicotinamido-s-triazin-2-yl)nicotinamide Formula: C21H15N9O3 MolecularWeight: 441.4023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NC2=NC(=NC(=N2)NC(=O)C3=CN=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NC2=NC(=NC(=N2)NC(=O)C3=CN=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H15N9O3/c31-16(13-4-1-7-22-10-13)25-19-28-20(26-17(32)14-5-2-8-23-11-14)30-21(29-19)27-18(33)15-6-3-9-24-12-15/h1-12H,(H3,25,26,27,28,29,30,31,32,33)