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

Systemtic Name: 3-butyl-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: 3-butyl-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: 3-butyl-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: 3-butyl-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: 3-butyl-6-keto-5-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl)-2-thioxo-pyrimidin-4-olate Formula: C20H24N3O5S- MolecularWeight: 418.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=S)C2C3=C(C4=C(C=C3CCN2C)OCO4)OC)[O-]

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=S)C2C3=C(C4=C(C=C3CCN2C)OCO4)OC)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-4-5-7-23-19(25)14(18(24)21-20(23)29)15-13-11(6-8-22(15)2)9-12-16(17(13)26-3)28-10-27-12/h9,15,25H,4-8,10H2,1-3H3,(H,21,24,29)/p-1