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

Systemtic Name: N-[4-[[4-[(3R,5S)-3,5-bis(azanyl)piperidin-1-yl]-6-[(3R,5R)-3,5-bis(oxidanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-phenyl]-4-chloranyl-benzamide Openeye Name: 4-chloro-N-[4-[[4-[(3R,5S)-3,5-diamino-1-piperidyl]-6-[(3R,5R)-3,5-dihydroxy-1-piperidyl]-1,3,5-triazin-2-yl]amino]-2-hydroxy-phenyl]benzamide CAS Name: 4-chloro-N-[4-[[4-[(3R,5S)-3,5-diamino-1-piperidinyl]-6-[(3R,5R)-3,5-dihydroxy-1-piperidinyl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide IUPAC Name: 4-chloro-N-[4-[[4-[(3R,5S)-3,5-diaminopiperidin-1-yl]-6-[(3R,5R)-3,5-dihydroxypiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]benzamide Traditional Name: 4-chloro-N-[4-[[4-[(3R,5S)-3,5-diaminopiperidino]-6-[(3R,5R)-3,5-dihydroxypiperidino]-s-triazin-2-yl]amino]-2-hydroxy-phenyl]benzamide Formula: C26H32ClN9O4 MolecularWeight: 570.04318

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(CC1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)O)N5CC(CC(C5)O)O)N

Isomeric SMILES

C1[C@H](CN(C[C@H]1N)C2=NC(=NC(=N2)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)O)N5C[C@@H](C[C@H](C5)O)O)N

InChI

InChI=1S/C26H32ClN9O4/c27-15-3-1-14(2-4-15)23(40)31-21-6-5-18(8-22(21)39)30-24-32-25(35-10-16(28)7-17(29)11-35)34-26(33-24)36-12-19(37)9-20(38)13-36/h1-6,8,16-17,19-20,37-39H,7,9-13,28-29H2,(H,31,40)(H,30,32,33,34)/t16-,17+,19-,20-/m1/s1