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

Systemtic Name: N-[4-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-3-methyl-phenyl]-2,4-bis(oxidanyl)benzamide Openeye Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-3-methyl-phenyl]-2,4-dihydroxy-benzamide CAS Name: N-[4-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-3-methylphenyl]-2,4-dihydroxybenzamide IUPAC Name: N-[4-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-3-methylphenyl]-2,4-dihydroxybenzamide Traditional Name: N-[4-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-3-methyl-phenyl]-2,4-dihydroxy-benzamide Formula: C27H37N11O3 MolecularWeight: 563.65458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)O)O)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=C(C=C2)O)O)NC3=NC(=NC(=N3)N4CC(CC(C4)N)N)N5CC(CC(C5)N)N

InChI

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