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

Systemtic Name: 1-(3,5-dimethylphenyl)-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(3,5-dimethylphenyl)-6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-2-thioxo-pyrimidin-4-one CAS Name: 1-(3,5-dimethylphenyl)-6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(3,5-dimethylphenyl)-6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(3,5-dimethylphenyl)-6-hydroxy-5-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]-2-thioxo-pyrimidin-4-one Formula: C24H26N3O5S+ MolecularWeight: 468.54534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=C(C(=O)NC2=S)C3C4=C(C5=C(C=C4CC[NH+]3C)OCO5)OC)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=C(C(=O)NC2=S)[C@@H]3C4=C(C5=C(C=C4CC[NH+]3C)OCO5)OC)O)C

InChI

InChI=1S/C24H25N3O5S/c1-12-7-13(2)9-15(8-12)27-23(29)18(22(28)25-24(27)33)19-17-14(5-6-26(19)3)10-16-20(21(17)30-4)32-11-31-16/h7-10,19,29H,5-6,11H2,1-4H3,(H,25,28,33)/p+1/t19-/m0/s1