N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-2-oxidanyl-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]-2-oxidanyl-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]-2-hydroxy-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]-2-hydroxyphenyl]-2-hydroxy-3-methoxybenzamide IUPAC Name: N-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-2-hydroxyphenyl]-2-hydroxy-3-methoxybenzamide Traditional Name: N-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-2-hydroxy-phenyl]-2-hydroxy-3-methoxy-benzamide Formula: C27H37N11O4 MolecularWeight: 579.65398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N11O4/c1-42-22-4-2-3-19(23(22)40)24(41)33-20-6-5-18(9-21(20)39)32-25-34-26(37-10-14(28)7-15(29)11-37)36-27(35-25)38-12-16(30)8-17(31)13-38/h2-6,9,14-17,39-40H,7-8,10-13,28-31H2,1H3,(H,33,41)(H,32,34,35,36)