N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-4-oxidanylidene-5-piperidin-1-ylsulfonyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[6-methyl-4-oxo-5-(1-piperidylsulfonyl)thieno[2,3-d]pyrimidin-3-yl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-[6-methyl-4-oxo-5-(1-piperidinylsulfonyl)-3-thieno[2,3-d]pyrimidinyl]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(6-methyl-4-oxo-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(4-keto-6-methyl-5-piperidinosulfonyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C23H26N4O6S2 MolecularWeight: 518.60574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC3COC4=CC=CC=C4O3)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)CC(=O)NCC3COC4=CC=CC=C4O3)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C23H26N4O6S2/c1-15-21(35(30,31)27-9-5-2-6-10-27)20-22(34-15)25-14-26(23(20)29)12-19(28)24-11-16-13-32-17-7-3-4-8-18(17)33-16/h3-4,7-8,14,16H,2,5-6,9-13H2,1H3,(H,24,28)