2-[3-[[3-(4,6-dimethyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)-2-oxidanyl-propyl]-(phenylmethyl)amino]-2-oxidanyl-propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one

Systemtic Name: 2-[3-[[3-(4,6-dimethyl-3-oxidanylidene-[1,2]thiazolo[5,4-b]pyridin-2-yl)-2-oxidanyl-propyl]-(phenylmethyl)amino]-2-oxidanyl-propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one Openeye Name: 2-[3-[benzyl-[3-(4,6-dimethyl-3-oxo-isothiazolo[5,4-b]pyridin-2-yl)-2-hydroxy-propyl]amino]-2-hydroxy-propyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one CAS Name: 2-[3-[[3-(4,6-dimethyl-3-oxo-2-isothiazolo[5,4-b]pyridinyl)-2-hydroxypropyl]-(phenylmethyl)amino]-2-hydroxypropyl]-4,6-dimethyl-3-isothiazolo[5,4-b]pyridinone IUPAC Name: 2-[3-[benzyl-[3-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-2-hydroxypropyl]amino]-2-hydroxypropyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one Traditional Name: 2-[3-[benzyl-[2-hydroxy-3-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridin-2-yl)propyl]amino]-2-hydroxy-propyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one Formula: C29H33N5O4S2 MolecularWeight: 579.73342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=O)N(S2)CC(CN(CC3=CC=CC=C3)CC(CN4C(=O)C5=C(S4)N=C(C=C5C)C)O)O)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=O)N(S2)CC(CN(CC3=CC=CC=C3)CC(CN4C(=O)C5=C(S4)N=C(C=C5C)C)O)O)C

InChI

InChI=1S/C29H33N5O4S2/c1-17-10-19(3)30-26-24(17)28(37)33(39-26)15-22(35)13-32(12-21-8-6-5-7-9-21)14-23(36)16-34-29(38)25-18(2)11-20(4)31-27(25)40-34/h5-11,22-23,35-36H,12-16H2,1-4H3