2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-cyclopentyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-3-cyclopentyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-3-cyclopentyl-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-cyclopentyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-6-keto-2-[[2-keto-2-(piperonylamino)ethyl]thio]pyrimidin-4-olate Formula: C19H20N3O5S- MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)[O-]

Isomeric SMILES

C1CCC(C1)N2C(=CC(=O)N=C2SCC(=O)NCC3=CC4=C(C=C3)OCO4)[O-]

InChI

InChI=1S/C19H21N3O5S/c23-16-8-18(25)22(13-3-1-2-4-13)19(21-16)28-10-17(24)20-9-12-5-6-14-15(7-12)27-11-26-14/h5-8,13,25H,1-4,9-11H2,(H,20,24)/p-1