2-azanyl-3-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-6-methylsulfonyl-phenol

Systemtic Name: 2-azanyl-3-[[4,6-bis[3,5-bis(azanyl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]-6-methylsulfonyl-phenol Openeye Name: 2-amino-3-[[4,6-bis(3,5-diamino-1-piperidyl)-1,3,5-triazin-2-yl]amino]-6-methylsulfonyl-phenol CAS Name: 2-amino-3-[[4,6-bis(3,5-diamino-1-piperidinyl)-1,3,5-triazin-2-yl]amino]-6-methylsulfonylphenol IUPAC Name: 2-amino-3-[[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-6-methylsulfonylphenol Traditional Name: 2-amino-3-[[4,6-bis(3,5-diaminopiperidino)-s-triazin-2-yl]amino]-6-mesyl-phenol Formula: C20H33N11O3S MolecularWeight: 507.61292

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N)N)O

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)NC2=NC(=NC(=N2)N3CC(CC(C3)N)N)N4CC(CC(C4)N)N)N)O

InChI

InChI=1S/C20H33N11O3S/c1-35(33,34)15-3-2-14(16(25)17(15)32)26-18-27-19(30-6-10(21)4-11(22)7-30)29-20(28-18)31-8-12(23)5-13(24)9-31/h2-3,10-13,32H,4-9,21-25H2,1H3,(H,26,27,28,29)