CAS RN: 3226-86-6
CAS Name: 2-[[1-oxo-2-[[1-oxo-2-[(triphenylmethyl)amino]ethyl]amino]ethyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-[[2-(tritylamino)acetyl]amino]acetyl]amino]acetate
IUPAC Name: ethyl 2-[[2-[[2-(tritylamino)acetyl]amino]acetyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[2-[2-[(triphenylmethyl)amino]ethanoylamino]ethanoylamino]ethanoate
MOLECULAR FORMULA: C27H29N3O4
MOLECULAR WEIGHT: 459.53686
SMILES: CCOC(=O)CNC(=O)CNC(=O)CNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 24849-97-6
CAS Name: 6,6-dimethyl-1-(2-naphthalenyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6,6-dimethyl-1-(2-naphthyl)-1,3,5-triazine-2,4-diamine
IUPAC Name: 6,6-dimethyl-1-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6,6-dimethyl-1-naphthalen-2-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C15H17N5
MOLECULAR WEIGHT: 267.32898
SMILES: CC1(N=C(N=C(N1C2=CC3=CC=CC=C3C=C2)N)N)C
Structure:
CAS RN: 80574-26-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H18N+
MOLECULAR WEIGHT: 188.28872
SMILES: C[N+]12CCCC3=C1C(=CC=C3)CCC2
Structure:
CAS RN: 18933-45-4
CAS Name: 2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxy-phenyl)propanoic acid
IUPAC Name: 2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C9H7F4NO3
MOLECULAR WEIGHT: 253.150393
SMILES: C(C1=C(C(=C(C(=C1F)F)O)F)F)C(C(=O)O)N
Structure:
CAS RN: 5097-79-0
CAS Name: 2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxy-phenyl)propanoic acid
IUPAC Name: 2-amino-3-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[2,3,5,6-tetrakis(fluoranyl)-4-oxidanyl-phenyl]propanoic acid
MOLECULAR FORMULA: C9H7F4NO3
MOLECULAR WEIGHT: 253.150393
SMILES: C(C1=C(C(=C(C(=C1F)F)O)F)F)C(C(=O)O)N
Structure:
CAS RN: 13347-16-5
CAS Name: 1-[2-(3,3,5-trimethyl-1-phenylcyclohexyl)oxyethyl]piperidine
OPENEYE Name: 1-[2-(3,3,5-trimethyl-1-phenyl-cyclohexoxy)ethyl]piperidine
IUPAC Name: 1-[2-(3,3,5-trimethyl-1-phenylcyclohexyl)oxyethyl]piperidine
SYSTEMATIC NAME: 1-[2-(3,3,5-trimethyl-1-phenyl-cyclohexyl)oxyethyl]piperidine
MOLECULAR FORMULA: C22H35NO
MOLECULAR WEIGHT: 329.5194
SMILES: CC1CC(CC(C1)(C2=CC=CC=C2)OCCN3CCCCC3)(C)C
Structure:
CAS RN: 16228-67-4
CAS Name: 3-(3-azabicyclo[3.2.2]nonan-3-yl)-1-thiophen-2-yl-1-propanone
OPENEYE Name: 3-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(2-thienyl)propan-1-one
IUPAC Name: 3-(3-azabicyclo[3.2.2]nonan-3-yl)-1-thiophen-2-ylpropan-1-one
SYSTEMATIC NAME: 3-(3-azabicyclo[3.2.2]nonan-3-yl)-1-thiophen-2-yl-propan-1-one
MOLECULAR FORMULA: C15H21NOS
MOLECULAR WEIGHT: 263.39834
SMILES: C1CC2CCC1CN(C2)CCC(=O)C3=CC=CS3
Structure:
CAS RN: 1222-30-6
CAS Name: carbamimidothioic acid [2-acetamido-5-(2-cyanoethyl)-6-methyl-4-pyrimidinyl] ester
OPENEYE Name: N-[4-carbamimidoylsulfanyl-5-(2-cyanoethyl)-6-methyl-pyrimidin-2-yl]acetamide
IUPAC Name: [2-acetamido-5-(2-cyanoethyl)-6-methylpyrimidin-4-yl] carbamimidothioate
SYSTEMATIC NAME: [2-acetamido-5-(2-cyanoethyl)-6-methyl-pyrimidin-4-yl] carbamimidothioate
MOLECULAR FORMULA: C11H14N6OS
MOLECULAR WEIGHT: 278.33346
SMILES: CC1=C(C(=NC(=N1)NC(=O)C)SC(=N)N)CCC#N
Structure:
CAS RN: 93480-76-3
CAS Name: 5-[(dimethylamino)methyl]-5-methyl-6H-cyclopenta[b]thiophen-4-one
OPENEYE Name: 5-[(dimethylamino)methyl]-5-methyl-6H-cyclopenta[b]thiophen-4-one
IUPAC Name: 5-[(dimethylamino)methyl]-5-methyl-6H-cyclopenta[b]thiophen-4-one
SYSTEMATIC NAME: 5-[(dimethylamino)methyl]-5-methyl-6H-cyclopenta[b]thiophen-4-one
MOLECULAR FORMULA: C11H15NOS
MOLECULAR WEIGHT: 209.3079
SMILES: CC1(CC2=C(C1=O)C=CS2)CN(C)C
Structure:
CAS RN: 16378-08-8
CAS Name: 5-[(dimethylamino)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
OPENEYE Name: 5-[(dimethylamino)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
IUPAC Name: 5-[(dimethylamino)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
SYSTEMATIC NAME: 5-[(dimethylamino)methyl]-4,5-dihydrocyclopenta[b]thiophen-6-one
MOLECULAR FORMULA: C10H13NOS
MOLECULAR WEIGHT: 195.28132
SMILES: CN(C)CC1CC2=C(C1=O)SC=C2
Structure:
CAS RN: 31863-38-4
CAS Name: 1-aziridinyl-[4-(7-benzo[a]anthracenyl)phenyl]methanone
OPENEYE Name: aziridin-1-yl-(4-benzo[a]anthracen-7-ylphenyl)methanone
IUPAC Name: aziridin-1-yl-(4-benzo[a]anthracen-7-ylphenyl)methanone
SYSTEMATIC NAME: aziridin-1-yl-(4-benzo[a]anthracen-7-ylphenyl)methanone
MOLECULAR FORMULA: C27H19NO
MOLECULAR WEIGHT: 373.44586
SMILES: C1CN1C(=O)C2=CC=C(C=C2)C3=C4C=CC5=CC=CC=C5C4=CC6=CC=CC=C63
Structure:
CAS RN: 16757-45-2
CAS Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol
OPENEYE Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]-6-methoxy-phenol
IUPAC Name: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxyphenol
SYSTEMATIC NAME: 2-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-6-methoxy-phenol
MOLECULAR FORMULA: C33H42Cl4N4O2
MOLECULAR WEIGHT: 668.52418
SMILES: COC1=CC=CC(=C1O)C2N(CCCN2CC3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 17761-56-7
CAS Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-5-(hydroxymethyl)-2-methyl-3-pyridinol
OPENEYE Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol
IUPAC Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SYSTEMATIC NAME: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]-5-(hydroxymethyl)-2-methyl-pyridin-3-ol
MOLECULAR FORMULA: C33H43Cl4N5O2
MOLECULAR WEIGHT: 683.53882
SMILES: CC1=NC=C(C(=C1O)C2N(CCCN2CC3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC=C(C=C4)N(CCCl)CCCl)CO
Structure:
CAS RN: 5767-47-5
CAS Name: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
OPENEYE Name: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chloro-phenyl]-3-[(2-hydroxy-3-methoxy-phenyl)methyl]hexahydropyrimidin-1-yl]methyl]-6-methoxy-phenol
IUPAC Name: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-3-[(2-hydroxy-3-methoxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxyphenol
SYSTEMATIC NAME: 2-[[2-[4-[bis(2-chloroethyl)amino]-2-chloranyl-phenyl]-3-[(3-methoxy-2-oxidanyl-phenyl)methyl]-1,3-diazinan-1-yl]methyl]-6-methoxy-phenol
MOLECULAR FORMULA: C30H36Cl3N3O4
MOLECULAR WEIGHT: 608.98354
SMILES: COC1=CC=CC(=C1O)CN2CCCN(C2C3=C(C=C(C=C3)N(CCCl)CCCl)Cl)CC4=C(C(=CC=C4)OC)O
Structure:
CAS RN: 5019-65-8
CAS Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-3-chloro-N,N-bis(2-chloroethyl)aniline
OPENEYE Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]hexahydropyrimidin-2-yl]-3-chloro-N,N-bis(2-chloroethyl)aniline
IUPAC Name: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-3-chloro-N,N-bis(2-chloroethyl)aniline
SYSTEMATIC NAME: 4-[1,3-bis[(3,4-dimethoxyphenyl)methyl]-1,3-diazinan-2-yl]-3-chloranyl-N,N-bis(2-chloroethyl)aniline
MOLECULAR FORMULA: C32H40Cl3N3O4
MOLECULAR WEIGHT: 637.0367
SMILES: COC1=C(C=C(C=C1)CN2CCCN(C2C3=C(C=C(C=C3)N(CCCl)CCCl)Cl)CC4=CC(=C(C=C4)OC)OC)OC
Structure:
CAS RN: 19320-06-0
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(2-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-(2-fluorophenyl)hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(2-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-(2-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C34H43Cl4FN4
MOLECULAR WEIGHT: 668.542423
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=CC=C3F)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 19320-29-7
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-(4-methoxyphenyl)hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C35H46Cl4N4O
MOLECULAR WEIGHT: 680.57794
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=C(C=C3)OC)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 19320-31-1
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-(4-fluorophenyl)hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C34H43Cl4FN4
MOLECULAR WEIGHT: 668.542423
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=C(C=C3)F)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 19320-32-2
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(3-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-(3-fluorophenyl)hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-(3-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-(3-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C34H43Cl4FN4
MOLECULAR WEIGHT: 668.542423
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC(=CC=C3)F)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 19320-28-6
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-[4-(dimethylamino)phenyl]hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methylaniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline
MOLECULAR FORMULA: C36H49Cl4N5
MOLECULAR WEIGHT: 693.61976
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=C(C=C3)N(C)C)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 19320-30-0
CAS Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]benzonitrile
OPENEYE Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]hexahydropyrimidin-2-yl]benzonitrile
IUPAC Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methyl]-1,3-diazinan-2-yl]benzonitrile
SYSTEMATIC NAME: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyl]-1,3-diazinan-2-yl]benzenecarbonitrile
MOLECULAR FORMULA: C35H43Cl4N5
MOLECULAR WEIGHT: 675.56142
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)CN2CCCN(C2C3=CC=C(C=C3)C#N)CC4=C(C=C(C=C4)N(CCCl)CCCl)C
Structure:
CAS RN: 17761-55-6
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(2-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(2-fluorophenyl)hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(2-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(2-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
MOLECULAR FORMULA: C32H39Cl4FN4
MOLECULAR WEIGHT: 640.489263
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=CC=CC=C3F)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 16757-48-5
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-methoxyphenyl)hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-methoxyphenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
MOLECULAR FORMULA: C33H42Cl4N4O
MOLECULAR WEIGHT: 652.52478
SMILES: COC1=CC=C(C=C1)C2N(CCCN2CC3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 16757-49-6
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(3-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(3-fluorophenyl)hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(3-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(3-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
MOLECULAR FORMULA: C32H39Cl4FN4
MOLECULAR WEIGHT: 640.489263
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=CC(=CC=C3)F)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 17761-53-4
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-(4-fluorophenyl)-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
MOLECULAR FORMULA: C32H39Cl4FN4
MOLECULAR WEIGHT: 640.489263
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=CC=C(C=C3)F)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 17761-51-2
CAS Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]benzonitrile
OPENEYE Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]hexahydropyrimidin-2-yl]benzonitrile
IUPAC Name: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]benzonitrile
SYSTEMATIC NAME: 4-[1,3-bis[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-1,3-diazinan-2-yl]benzenecarbonitrile
MOLECULAR FORMULA: C33H39Cl4N5
MOLECULAR WEIGHT: 647.50826
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)N(CCCl)CCCl)C3=CC=C(C=C3)C#N)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 16757-54-3
CAS Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
OPENEYE Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-[4-(dimethylamino)phenyl]hexahydropyrimidin-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
IUPAC Name: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
SYSTEMATIC NAME: 4-[[3-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]methyl]-N,N-bis(2-chloroethyl)aniline
MOLECULAR FORMULA: C34H45Cl4N5
MOLECULAR WEIGHT: 665.5666
SMILES: CN(C)C1=CC=C(C=C1)C2N(CCCN2CC3=CC=C(C=C3)N(CCCl)CCCl)CC4=CC=C(C=C4)N(CCCl)CCCl
Structure:
CAS RN: 561-98-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H40O3
MOLECULAR WEIGHT: 412.6047
SMILES: CC1C2C(=C(C1=O)CC(C)CO)CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C
Structure:
CAS RN: 27578-75-2
CAS Name: N1-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-N4,N4-dimethylbenzene-1,4-diamine
OPENEYE Name: N1-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-N4,N4-dimethyl-benzene-1,4-diamine
IUPAC Name: 1-N-[bis(2-chloroethyl)amino-[4-(dimethylamino)anilino]phosphoryl]-4-N,4-N-dimethylbenzene-1,4-diamine
SYSTEMATIC NAME: N1-[bis(2-chloroethyl)amino-[[4-(dimethylamino)phenyl]amino]phosphoryl]-N4,N4-dimethyl-benzene-1,4-diamine
MOLECULAR FORMULA: C20H30Cl2N5OP
MOLECULAR WEIGHT: 458.364861
SMILES: CN(C)C1=CC=C(C=C1)NP(=O)(NC2=CC=C(C=C2)N(C)C)N(CCCl)CCCl
Structure:
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