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

Systemtic Name: N-[2-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methoxy-phenyl]-4-chloranyl-2-oxidanyl-benzamide Openeye Name: N-[2-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-4-methoxy-phenyl]-4-chloro-2-hydroxy-benzamide CAS Name: N-[2-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]-4-chloro-2-hydroxybenzamide IUPAC Name: N-[2-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]-4-chloro-2-hydroxybenzamide Traditional Name: N-[2-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-4-methoxy-phenyl]-4-chloro-2-hydroxy-benzamide Formula: C27H36ClN11O3 MolecularWeight: 598.09964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36ClN11O3/c1-42-19-3-5-21(33-24(41)20-4-2-14(28)6-23(20)40)22(9-19)34-25-35-26(38-10-15(29)7-16(30)11-38)37-27(36-25)39-12-17(31)8-18(32)13-39/h2-6,9,15-18,40H,7-8,10-13,29-32H2,1H3,(H,33,41)(H,34,35,36,37)