N-[2-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methoxy-phenyl]-3-methyl-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]-3-methyl-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]-2-hydroxy-3-methyl-benzamide CAS Name: N-[2-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]-2-hydroxy-3-methylbenzamide IUPAC Name: N-[2-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methoxyphenyl]-2-hydroxy-3-methylbenzamide Traditional Name: N-[2-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-4-methoxy-phenyl]-2-hydroxy-3-methyl-benzamide Formula: C28H39N11O3 MolecularWeight: 577.68116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)NC2=C(C=C(C=C2)OC)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)NC2=C(C=C(C=C2)OC)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N

InChI

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