methyl 2-[2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[4-keto-2-[[2-keto-1-methyl-2-(piperonylamino)ethyl]thio]-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=O)C=C(N3)CC(=O)OC

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC(=O)C=C(N3)CC(=O)OC

InChI

InChI=1S/C18H19N3O6S/c1-10(28-18-20-12(6-15(22)21-18)7-16(23)25-2)17(24)19-8-11-3-4-13-14(5-11)27-9-26-13/h3-6,10H,7-9H2,1-2H3,(H,19,24)(H,20,21,22)