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

Systemtic Name: 5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-6-oxidanyl-3-phenyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-3-phenyl-2-thioxo-pyrimidin-4-one CAS Name: 6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-3-phenyl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-3-phenyl-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]-1-methyl-3-phenyl-2-thioxo-pyrimidin-4-one Formula: C23H24N3O5S+ MolecularWeight: 454.51876

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC3=C(C(=C2C1C4=C(N(C(=S)N(C4=O)C5=CC=CC=C5)C)O)OC)OCO3

Isomeric SMILES

C[NH+]1CCC2=CC3=C(C(=C2[C@H]1C4=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/t18-/m0/s1