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

Systemtic Name: N-[2-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-5-methoxy-phenyl]-3-nitro-2-oxidanyl-benzamide Openeye Name: N-[2-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-5-methoxy-phenyl]-2-hydroxy-3-nitro-benzamide CAS Name: N-[2-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-5-methoxyphenyl]-2-hydroxy-3-nitrobenzamide IUPAC Name: N-[2-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-5-methoxyphenyl]-2-hydroxy-3-nitrobenzamide Traditional Name: N-[2-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-5-methoxy-phenyl]-2-hydroxy-3-nitro-benzamide Formula: C27H36N12O5 MolecularWeight: 608.65214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N)NC(=O)C5=C(C(=CC=C5)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N)NC(=O)C5=C(C(=CC=C5)[N+](=O)[O-])O

InChI

InChI=1S/C27H36N12O5/c1-44-18-5-6-20(21(9-18)32-24(41)19-3-2-4-22(23(19)40)39(42)43)33-25-34-26(37-10-14(28)7-15(29)11-37)36-27(35-25)38-12-16(30)8-17(31)13-38/h2-6,9,14-17,40H,7-8,10-13,28-31H2,1H3,(H,32,41)(H,33,34,35,36)