N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]-3-methoxy-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-methoxy-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-methoxy-benzamide CAS Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]phenyl]-2-hydroxy-3-methoxybenzamide IUPAC Name: N-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-2-hydroxy-3-methoxybenzamide Traditional Name: N-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]phenyl]-2-hydroxy-3-methoxy-benzamide Formula: C27H37N11O3 MolecularWeight: 563.65458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N

Isomeric SMILES

COC1=CC=CC(=C1O)C(=O)NC2=CC=C(C=C2)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N

InChI

InChI=1S/C27H37N11O3/c1-41-22-4-2-3-21(23(22)39)24(40)32-19-5-7-20(8-6-19)33-25-34-26(37-11-15(28)9-16(29)12-37)36-27(35-25)38-13-17(30)10-18(31)14-38/h2-8,15-18,39H,9-14,28-31H2,1H3,(H,32,40)(H,33,34,35,36)