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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NC(C)C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

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