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

Systemtic Name: N-[4-[[4-[3,5-bis(azanyl)piperidin-1-yl]-6-[2-(2-oxidanylideneimidazolidin-1-yl)ethylamino]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-4-chloranyl-benzamide Openeye Name: 4-chloro-N-[4-[[4-(3,5-diamino-1-piperidyl)-6-[2-(2-oxoimidazolidin-1-yl)ethylamino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-phenyl]benzamide CAS Name: 4-chloro-N-[4-[[4-(3,5-diamino-1-piperidinyl)-6-[2-(2-oxo-1-imidazolidinyl)ethylamino]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide IUPAC Name: 4-chloro-N-[4-[[4-(3,5-diaminopiperidin-1-yl)-6-[2-(2-oxoimidazolidin-1-yl)ethylamino]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide Traditional Name: 4-chloro-N-[4-[[4-(3,5-diaminopiperidino)-6-[2-(2-ketoimidazolidin-1-yl)ethylamino]-s-triazin-2-yl]amino]-2-hydroxy-phenyl]benzamide Formula: C26H32ClN11O3 MolecularWeight: 582.05718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)CCNC2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)O)N5CC(CC(C5)N)N

Isomeric SMILES

C1CN(C(=O)N1)CCNC2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)O)N5CC(CC(C5)N)N

InChI

InChI=1S/C26H32ClN11O3/c27-16-3-1-15(2-4-16)22(40)33-20-6-5-19(12-21(20)39)32-24-34-23(30-7-9-37-10-8-31-26(37)41)35-25(36-24)38-13-17(28)11-18(29)14-38/h1-6,12,17-18,39H,7-11,13-14,28-29H2,(H,31,41)(H,33,40)(H2,30,32,34,35,36)