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

Systemtic Name: 1-hexyl-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-thioxo-pyrimidin-4-one CAS Name: 1-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-hexyl-6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)-2-thioxo-pyrimidin-4-one Formula: C22H29N3O5S MolecularWeight: 447.54776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(C(=O)NC1=S)C2C3=C(C4=C(C=C3CCN2C)OCO4)OC)O

Isomeric SMILES

CCCCCCN1C(=C(C(=O)NC1=S)C2C3=C(C4=C(C=C3CCN2C)OCO4)OC)O

InChI

InChI=1S/C22H29N3O5S/c1-4-5-6-7-9-25-21(27)16(20(26)23-22(25)31)17-15-13(8-10-24(17)2)11-14-18(19(15)28-3)30-12-29-14/h11,17,27H,4-10,12H2,1-3H3,(H,23,26,31)