About 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 162105725) has the molecular formula C125H161Br3Cl8N28S10
and a molecular weight of 2899.86 g/mol. Its IUPAC name is 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.
Frequently Asked Questions
What is the IUPAC name of 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (CID 162105725) is 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is Brc1ccc(CSC2=NCN(CC3CCCCC3)CN2)c(CSC2=NCN(CC3CCCCC3)CN2)c1.Clc1cc(CSC2=NCN(CC3CCCCC3)CN2)c(CSC2=NCN(CC3CCCCC3)CN2)cc1Cl.Clc1ccc(CN2CN=C(SCc3ccc(Br)cc3CSC3=NCN(Cc4ccc(Cl)c(Cl)c4)CN3)NC2)cc1Cl.Clc1ccccc1CCN1CN=C(SCc2ccc(Br)cc2CSC2=NCN(CCc3ccccc3Cl)CN2)NC1.[H]/N=C(\N)SCCc1ccccc1CS/C(N)=N/[H].
What is the InChIKey of 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is ZFMDSVFGXHPWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33BrCl2N6S2.C28H27BrCl4N6S2.C28H43BrN6S2.C28H42Cl2N6S2.C11H16N4S2/c31-26-10-9-24(16-40-29-34-18-38(19-35-29)13-11-22-5-1-3-7-27(22)32)25(15-26)17-41-30-36-20-39(21-37-30)14-12-23-6-2-4-8-28(23)33;29-22-4-3-20(12-40-27-34-14-38(15-35-27)10-18-1-5-23(30)25(32)7-18)21(9-22)13-41-28-36-16-39(17-37-28)11-19-2-6-24(31)26(33)8-19;29-26-12-11-24(16-36-27-30-18-34(19-31-27)14-22-7-3-1-4-8-22)25(13-26)17-37-28-32-20-35(21-33-28)15-23-9-5-2-6-10-23;29-25-11-23(15-37-27-31-17-35(18-32-27)13-21-7-3-1-4-8-21)24(12-26(25)30)16-38-28-33-19-36(20-34-28)14-22-9-5-2-6-10-22;12-10(13)16-6-5-8-3-1-2-4-9(8)7-17-11(14)15/h1-10,15H,11-14,16-21H2,(H,34,35)(H,36,37);1-9H,10-17H2,(H,34,35)(H,36,37);11-13,22-23H,1-10,14-21H2,(H,30,31)(H,32,33);11-12,21-22H,1-10,13-20H2,(H,31,32)(H,33,34);1-4H,5-7H2,(H3,12,13)(H3,14,15).
What are the key properties of 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 2899.86 g/mol, XLogP of 30.73, 39 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-bromo-2-[[3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[2-(2-chlorophenyl)ethyl]-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazine;6-[[4-bromo-2-[[3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-3-[(3,4-dichlorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazine;2-[2-(carbamimidoylsulfanylmethyl)phenyl]ethyl carbamimidothioate;3-(cyclohexylmethyl)-6-[[4,5-dichloro-2-[[3-(cyclohexylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 162105725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).