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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N9O3/c22-19-27-20(26-16(31)13-4-1-7-23-10-13)29-21(28-19)30(17(32)14-5-2-8-24-11-14)18(33)15-6-3-9-25-12-15/h1-12H,(H3,22,26,27,28,29,31)