5-[[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]-(6-oxidanyl-4-oxidanylidene-1-propan-2-yl-2-sulfanylidene-pyrimidin-5-yl)methyl]-6-oxidanyl-1-propan-2-yl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]-(6-oxidanyl-4-oxidanylidene-1-propan-2-yl-2-sulfanylidene-pyrimidin-5-yl)methyl]-6-oxidanyl-1-propan-2-yl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]-(6-hydroxy-1-isopropyl-4-oxo-2-thioxo-pyrimidin-5-yl)methyl]-6-hydroxy-1-isopropyl-2-thioxo-pyrimidin-4-one CAS Name: 5-[[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]-(6-hydroxy-4-oxo-1-propan-2-yl-2-sulfanylidene-5-pyrimidinyl)methyl]-6-hydroxy-1-propan-2-yl-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]-(6-hydroxy-4-oxo-1-propan-2-yl-2-sulfanylidenepyrimidin-5-yl)methyl]-6-hydroxy-1-propan-2-yl-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[[6-(2-dimethylaminoethyl)-4-methoxy-1,3-benzodioxol-5-yl]-(6-hydroxy-1-isopropyl-4-keto-2-thioxo-pyrimidin-5-yl)methyl]-6-hydroxy-1-isopropyl-2-thioxo-pyrimidin-4-one Formula: C27H35N5O7S2 MolecularWeight: 605.7261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(C(=O)NC1=S)C(C2=C(C3=C(C=C2CCN(C)C)OCO3)OC)C4=C(N(C(=S)NC4=O)C(C)C)O)O

Isomeric SMILES

CC(C)N1C(=C(C(=O)NC1=S)C(C2=C(C3=C(C=C2CCN(C)C)OCO3)OC)C4=C(N(C(=S)NC4=O)C(C)C)O)O

InChI

InChI=1S/C27H35N5O7S2/c1-12(2)31-24(35)18(22(33)28-26(31)40)17(19-23(34)29-27(41)32(13(3)4)25(19)36)16-14(8-9-30(5)6)10-15-20(21(16)37-7)39-11-38-15/h10,12-13,17,35-36H,8-9,11H2,1-7H3,(H,28,33,40)(H,29,34,41)