5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-oxidanyl-2-sulfanylidene-1H-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-2-sulfanylidene-1H-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)-2-thioxo-1H-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)-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name: 6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-2-sulfanylidene-1H-pyrimidin-4-one Traditional Name: 6-hydroxy-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)-2-thioxo-1H-pyrimidin-4-one Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC3=C(C(=C2C1C4=C(NC(=S)NC4=O)O)OC)OCO3

Isomeric SMILES

CN1CCC2=CC3=C(C(=C2C1C4=C(NC(=S)NC4=O)O)OC)OCO3

InChI

InChI=1S/C16H17N3O5S/c1-19-4-3-7-5-8-12(24-6-23-8)13(22-2)9(7)11(19)10-14(20)17-16(25)18-15(10)21/h5,11H,3-4,6H2,1-2H3,(H3,17,18,20,21,25)