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

Systemtic Name: 5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-oxidanyl-1-phenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-phenyl-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-phenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-1-phenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)-1-phenyl-2-thioxo-pyrimidin-4-one Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC3=C(C(=C2C1C4=C(N(C(=S)NC4=O)C5=CC=CC=C5)O)OC)OCO3

Isomeric SMILES

CN1CCC2=CC3=C(C(=C2C1C4=C(N(C(=S)NC4=O)C5=CC=CC=C5)O)OC)OCO3

InChI

InChI=1S/C22H21N3O5S/c1-24-9-8-12-10-14-18(30-11-29-14)19(28-2)15(12)17(24)16-20(26)23-22(31)25(21(16)27)13-6-4-3-5-7-13/h3-7,10,17,27H,8-9,11H2,1-2H3,(H,23,26,31)