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

Systemtic Name: N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-3,6-dimethyl-2,4-bis(oxidanyl)benzamide Openeye Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]phenyl]-2,4-dihydroxy-3,6-dimethyl-benzamide CAS Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]phenyl]-2,4-dihydroxy-3,6-dimethylbenzamide IUPAC Name: N-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-2,4-dihydroxy-3,6-dimethylbenzamide Traditional Name: N-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]phenyl]-2,4-dihydroxy-3,6-dimethyl-benzamide Formula: C28H39N11O3 MolecularWeight: 577.68116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)O)C)O

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)O)C)O

InChI

InChI=1S/C28H39N11O3/c1-14-7-22(40)15(2)24(41)23(14)25(42)33-20-3-5-21(6-4-20)34-26-35-27(38-10-16(29)8-17(30)11-38)37-28(36-26)39-12-18(31)9-19(32)13-39/h3-7,16-19,40-41H,8-13,29-32H2,1-2H3,(H,33,42)(H,34,35,36,37)