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

Systemtic Name: N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-3,4-dimethoxy-2-oxidanyl-benzamide Openeye Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]phenyl]-2-hydroxy-3,4-dimethoxy-benzamide CAS Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]phenyl]-2-hydroxy-3,4-dimethoxybenzamide IUPAC Name: N-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-2-hydroxy-3,4-dimethoxybenzamide Traditional Name: N-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]phenyl]-2-hydroxy-3,4-dimethoxy-benzamide Formula: C28H39N11O4 MolecularWeight: 593.68056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N)O)OC

InChI

InChI=1S/C28H39N11O4/c1-42-22-8-7-21(23(40)24(22)43-2)25(41)33-19-3-5-20(6-4-19)34-26-35-27(38-11-15(29)9-16(30)12-38)37-28(36-26)39-13-17(31)10-18(32)14-39/h3-8,15-18,40H,9-14,29-32H2,1-2H3,(H,33,41)(H,34,35,36,37)