5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: 5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methyl-6-oxidanylidene-1-phenyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methyl-6-oxo-1-phenyl-2-thioxo-pyrimidin-4-olate CAS Name: 5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methyl-6-oxo-1-phenyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3-methyl-6-oxo-1-phenyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: 6-keto-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)-3-methyl-1-phenyl-2-thioxo-pyrimidin-4-olate Formula: C23H22N3O5S- MolecularWeight: 452.50288

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC3=C(C(=C2C1C4=C(N(C(=S)N(C4=O)C5=CC=CC=C5)C)[O-])OC)OCO3

Isomeric SMILES

CN1CCC2=CC3=C(C(=C2C1C4=C(N(C(=S)N(C4=O)C5=CC=CC=C5)C)[O-])OC)OCO3

InChI

InChI=1S/C23H23N3O5S/c1-24-10-9-13-11-15-19(31-12-30-15)20(29-3)16(13)18(24)17-21(27)25(2)23(32)26(22(17)28)14-7-5-4-6-8-14/h4-8,11,18,27H,9-10,12H2,1-3H3/p-1