N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC(=O)NC2=CC3=C(C=C2)OCCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H21N3O4S/c1-14-17(11-15-5-3-2-4-6-15)21(27)25-22(23-14)30-13-20(26)24-16-7-8-18-19(12-16)29-10-9-28-18/h2-8,12H,9-11,13H2,1H3,(H,24,26)(H,23,25,27)