5-[[3-[1-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methoxy-phenyl]-[1-(3-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]methyl]-1-(3-methoxyphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 5-[[3-[1-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methoxy-phenyl]-[1-(3-methoxyphenyl)-6-oxidanyl-4-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl]methyl]-1-(3-methoxyphenyl)-6-oxidanyl-2-sulfanylidene-pyrimidin-4-one Openeye Name: 5-[[3-[1-(3,3-dimethyl-1-piperidyl)ethyl]-4-methoxy-phenyl]-[6-hydroxy-1-(3-methoxyphenyl)-4-oxo-2-thioxo-pyrimidin-5-yl]methyl]-6-hydroxy-1-(3-methoxyphenyl)-2-thioxo-pyrimidin-4-one CAS Name: 5-[[3-[1-(3,3-dimethyl-1-piperidinyl)ethyl]-4-methoxyphenyl]-[6-hydroxy-1-(3-methoxyphenyl)-4-oxo-2-sulfanylidene-5-pyrimidinyl]methyl]-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 5-[[3-[1-(3,3-dimethylpiperidin-1-yl)ethyl]-4-methoxyphenyl]-[6-hydroxy-1-(3-methoxyphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methyl]-6-hydroxy-1-(3-methoxyphenyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 5-[[3-[1-(3,3-dimethylpiperidino)ethyl]-4-methoxy-phenyl]-[6-hydroxy-4-keto-1-(3-methoxyphenyl)-2-thioxo-pyrimidin-5-yl]methyl]-6-hydroxy-1-(3-methoxyphenyl)-2-thioxo-pyrimidin-4-one Formula: C39H43N5O7S2 MolecularWeight: 757.91802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)C(C2=C(N(C(=S)NC2=O)C3=CC(=CC=C3)OC)O)C4=C(N(C(=S)NC4=O)C5=CC(=CC=C5)OC)O)OC)N6CCCC(C6)(C)C

Isomeric SMILES

CC(C1=C(C=CC(=C1)C(C2=C(N(C(=S)NC2=O)C3=CC(=CC=C3)OC)O)C4=C(N(C(=S)NC4=O)C5=CC(=CC=C5)OC)O)OC)N6CCCC(C6)(C)C

InChI

InChI=1S/C39H43N5O7S2/c1-22(42-17-9-16-39(2,3)21-42)28-18-23(14-15-29(28)51-6)30(31-33(45)40-37(52)43(35(31)47)24-10-7-12-26(19-24)49-4)32-34(46)41-38(53)44(36(32)48)25-11-8-13-27(20-25)50-5/h7-8,10-15,18-20,22,30,47-48H,9,16-17,21H2,1-6H3,(H,40,45,52)(H,41,46,53)