ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-[[2-keto-2-(piperonylamino)ethyl]thio]-6-methyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1SCC(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C18H19N3O6S/c1-3-25-17(23)15-10(2)20-18(24)21-16(15)28-8-14(22)19-7-11-4-5-12-13(6-11)27-9-26-12/h4-6H,3,7-9H2,1-2H3,(H,19,22)(H,20,21,24)