N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(4-keto-6-methyl-2-thioxo-1H-pyrimidin-5-yl)propionamide Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H19N3O4S/c1-10-12(16(22)20-17(25)19-10)3-5-15(21)18-9-11-2-4-13-14(8-11)24-7-6-23-13/h2,4,8H,3,5-7,9H2,1H3,(H,18,21)(H2,19,20,22,25)