4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(6-methylpyridin-2-yl)-2-oxidanyl-benzamide

Systemtic Name: 4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(6-methylpyridin-2-yl)-2-oxidanyl-benzamide Openeye Name: 4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-(6-methyl-2-pyridyl)benzamide CAS Name: 4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-(6-methyl-2-pyridinyl)benzamide IUPAC Name: 4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxy-N-(6-methylpyridin-2-yl)benzamide Traditional Name: 4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-N-(6-methyl-2-pyridyl)benzamide Formula: C26H36N12O2 MolecularWeight: 548.64324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2=C(C=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)O

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2=C(C=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)O

InChI

InChI=1S/C26H36N12O2/c1-14-3-2-4-22(31-14)33-23(40)20-6-5-19(9-21(20)39)32-24-34-25(37-10-15(27)7-16(28)11-37)36-26(35-24)38-12-17(29)8-18(30)13-38/h2-6,9,15-18,39H,7-8,10-13,27-30H2,1H3,(H,31,33,40)(H,32,34,35,36)