CAS RN: 48126-31-4
CAS Name: carbamimidothioic acid (2,4-dioxo-1H-pyrimidin-5-yl) ester
OPENEYE Name: 2-(2,4-dioxo-1H-pyrimidin-5-yl)isothiourea
IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl) carbamimidothioate
SYSTEMATIC NAME: [2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl] carbamimidothioate
MOLECULAR FORMULA: C5H6N4O2S
MOLECULAR WEIGHT: 186.19174
SMILES: C1=C(C(=O)NC(=O)N1)SC(=N)N
Structure:
CAS RN: 48122-13-0
CAS Name: N,2,2,6,6-pentamethyl-1-piperidinamine
OPENEYE Name: N,2,2,6,6-pentamethylpiperidin-1-amine
IUPAC Name: N,2,2,6,6-pentamethylpiperidin-1-amine
SYSTEMATIC NAME: N,2,2,6,6-pentamethylpiperidin-1-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CC1(CCCC(N1NC)(C)C)C
Structure:
CAS RN: 47914-99-8
CAS Name: benzoic acid [(2S,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrakis[[bis(1-aziridinyl)phosphorylamino]-oxomethoxy]hexyl] ester
OPENEYE Name: [(2S,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrakis[bis(aziridin-1-yl)phosphorylcarbamoyloxy]hexyl] benzoate
IUPAC Name: [(2S,3R,4R,5R)-6-benzoyloxy-2,3,4,5-tetrakis[bis(aziridin-1-yl)phosphorylcarbamoyloxy]hexyl] benzoate
SYSTEMATIC NAME: [(2S,3R,4R,5R)-2,3,4,5-tetrakis[bis(aziridin-1-yl)phosphorylcarbamoyloxy]-6-(phenylcarbonyloxy)hexyl] benzoate
MOLECULAR FORMULA: C40H54N12O16P4
MOLECULAR WEIGHT: 1082.822604
SMILES: C1CN1P(=O)(NC(=O)O[C@H](COC(=O)C2=CC=CC=C2)[C@H]([C@@H]([C@H](COC(=O)C3=CC=CC=C3)OC(=O)NP(=O)(N4CC4)N5CC5)OC(=O)NP(=O)(N6CC6)N7CC7)OC(=O)NP(=O)(N8CC8)N9CC9)N1CC1
Structure:
CAS RN: 47798-98-1
CAS Name: 3-pyridinecarboxylic acid 2-[[3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-[oxo(3-pyridinyl)methoxy]propyl]-methylamino]ethyl ester
OPENEYE Name: 2-[[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-(pyridine-3-carbonyloxy)propyl]-methyl-amino]ethyl pyridine-3-carboxylate
IUPAC Name: 2-[[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-(pyridine-3-carbonyloxy)propyl]-methylamino]ethyl pyridine-3-carboxylate
SYSTEMATIC NAME: 2-[[3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-pyridin-3-ylcarbonyloxy-propyl]-methyl-amino]ethyl pyridine-3-carboxylate
MOLECULAR FORMULA: C25H27N7O6
MOLECULAR WEIGHT: 521.52518
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCOC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4
Structure:
CAS RN: 47739-42-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H40N3O4+
MOLECULAR WEIGHT: 470.6242
SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN7CCOCC7)O)O
Structure:
CAS RN: 47739-41-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H42N3O3+
MOLECULAR WEIGHT: 468.65138
SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN7CCCCC7)O)O
Structure:
CAS RN: 47719-73-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H40N3O3+
MOLECULAR WEIGHT: 454.6248
SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN7CCCC7)O)O
Structure:
CAS RN: 47708-40-7
CAS Name: 1-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)-2-methyl-3-oxopropyl]-1-piperazinyl]-2-methyl-1-propanone
OPENEYE Name: 1-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)-2-methyl-3-oxo-propyl]piperazin-1-yl]-2-methyl-propan-1-one
IUPAC Name: 1-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)-2-methyl-3-oxopropyl]piperazin-1-yl]-2-methylpropan-1-one
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-3-[4-[3-(4-methoxyphenyl)-2-methyl-3-oxidanylidene-propyl]piperazin-1-yl]-2-methyl-propan-1-one
MOLECULAR FORMULA: C26H34N2O4
MOLECULAR WEIGHT: 438.55916
SMILES: CC(CN1CCN(CC1)CC(C)C(=O)C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC
Structure:
CAS RN: 47633-31-8
CAS Name: N-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)-1-piperazinyl]propoxy]phenyl]acetamide
OPENEYE Name: N-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
IUPAC Name: N-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanyl-propoxy]phenyl]ethanamide
MOLECULAR FORMULA: C22H29N3O4
MOLECULAR WEIGHT: 399.48336
SMILES: CC(=O)NC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)OC)O
Structure:
CAS RN: 47441-00-9
CAS Name: 2-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]guanidine
OPENEYE Name: 2-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]guanidine
IUPAC Name: 2-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]guanidine
SYSTEMATIC NAME: 2-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]guanidine
MOLECULAR FORMULA: C17H17F3N4S
MOLECULAR WEIGHT: 366.40389
SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCN=C(N)N
Structure:
CAS RN: 47420-10-0
CAS Name: 4-[2-[3-(3-hydroxyphenyl)-3-propyl-1-pyrrolidinyl]ethyl]benzene-1,2-diol
OPENEYE Name: 4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]benzene-1,2-diol
IUPAC Name: 4-[2-[3-(3-hydroxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[2-[3-(3-hydroxyphenyl)-3-propyl-pyrrolidin-1-yl]ethyl]benzene-1,2-diol
MOLECULAR FORMULA: C21H27NO3
MOLECULAR WEIGHT: 341.44398
SMILES: CCCC1(CCN(C1)CCC2=CC(=C(C=C2)O)O)C3=CC(=CC=C3)O
Structure:
CAS RN: 47375-47-3
CAS Name: 2-methyl-1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone
OPENEYE Name: 3-(4-benzylpiperazin-1-yl)-2-methyl-1-phenyl-propan-1-one
IUPAC Name: 3-(4-benzylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
SYSTEMATIC NAME: 2-methyl-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C21H26N2O
MOLECULAR WEIGHT: 322.44394
SMILES: CC(CN1CCN(CC1)CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 47354-59-6
CAS Name: 2-[2-methoxy-6-(1-piperidinylmethyl)-4-prop-2-enylphenoxy]-N,N-dimethylethanamine
OPENEYE Name: 2-[4-allyl-2-methoxy-6-(1-piperidylmethyl)phenoxy]-N,N-dimethyl-ethanamine
IUPAC Name: 2-[2-methoxy-6-(piperidin-1-ylmethyl)-4-prop-2-enylphenoxy]-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-[2-methoxy-6-(piperidin-1-ylmethyl)-4-prop-2-enyl-phenoxy]-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C20H32N2O2
MOLECULAR WEIGHT: 332.48028
SMILES: CN(C)CCOC1=C(C=C(C=C1OC)CC=C)CN2CCCCC2
Structure:
CAS RN: 47328-55-2
CAS Name: 2-hexyl-3-pentyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
OPENEYE Name: 2-hexyl-3-pentyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
IUPAC Name: 2-hexyl-3-pentyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
SYSTEMATIC NAME: 2-hexyl-3-pentyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
MOLECULAR FORMULA: C19H30N2O2S
MOLECULAR WEIGHT: 350.5187
SMILES: CCCCCCN1C(=NCC2=CC=CC=C2S1(=O)=O)CCCCC
Structure:
CAS RN: 47311-59-1
CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]undecanamide
OPENEYE Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]undecanamide
IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]undecanamide
SYSTEMATIC NAME: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]undecanamide
MOLECULAR FORMULA: C19H31NO3
MOLECULAR WEIGHT: 321.45434
SMILES: CCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 47228-61-5
CAS Name: 1-[4-[3-(trifluoromethyl)phenyl]-1-cyclohex-3-enyl]piperidine
OPENEYE Name: 1-[4-[3-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]piperidine
IUPAC Name: 1-[4-[3-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]piperidine
SYSTEMATIC NAME: 1-[4-[3-(trifluoromethyl)phenyl]cyclohex-3-en-1-yl]piperidine
MOLECULAR FORMULA: C18H22F3N
MOLECULAR WEIGHT: 309.36919
SMILES: C1CCN(CC1)C2CCC(=CC2)C3=CC(=CC=C3)C(F)(F)F
Structure:
CAS RN: 47223-01-8
CAS Name: 1-methyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperidine
OPENEYE Name: 1-methyl-4-(3-phenylindan-1-yl)piperidine
IUPAC Name: 1-methyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperidine
SYSTEMATIC NAME: 1-methyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperidine
MOLECULAR FORMULA: C21H25N
MOLECULAR WEIGHT: 291.4299
SMILES: CN1CCC(CC1)C2CC(C3=CC=CC=C23)C4=CC=CC=C4
Structure:
CAS RN: 47219-50-1
CAS Name: (2S,5R,6R)-3,3-dimethyl-6-[[(5-methyl-2-oxolanyl)-oxomethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-6-[(5-methyltetrahydrofuran-2-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolane-2-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-6-[(5-methyloxolan-2-yl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C14H20N2O5S
MOLECULAR WEIGHT: 328.384
SMILES: CC1CCC(O1)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O
Structure:
CAS RN: 47190-13-6
CAS Name: 2-hexyl-3-propyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
OPENEYE Name: 2-hexyl-3-propyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
IUPAC Name: 2-hexyl-3-propyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
SYSTEMATIC NAME: 2-hexyl-3-propyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
MOLECULAR FORMULA: C17H26N2O2S
MOLECULAR WEIGHT: 322.46554
SMILES: CCCCCCN1C(=NCC2=CC=CC=C2S1(=O)=O)CCC
Structure:
CAS RN: 47190-12-5
CAS Name: 2-hexyl-3-propan-2-yl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
OPENEYE Name: 2-hexyl-3-isopropyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
IUPAC Name: 2-hexyl-3-propan-2-yl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
SYSTEMATIC NAME: 2-hexyl-3-propan-2-yl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
MOLECULAR FORMULA: C17H26N2O2S
MOLECULAR WEIGHT: 322.46554
SMILES: CCCCCCN1C(=NCC2=CC=CC=C2S1(=O)=O)C(C)C
Structure:
CAS RN: 47148-14-1
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[oxo(2-oxolanyl)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(tetrahydrofuran-2-carbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(oxolane-2-carbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-(oxolan-2-ylcarbonylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C13H18N2O5S
MOLECULAR WEIGHT: 314.35742
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3CCCO3)C(=O)O)C
Structure:
CAS RN: 47140-15-8
CAS Name: 2-(2-hydroxypropan-2-yl)-8-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
OPENEYE Name: 2-(1-hydroxy-1-methyl-ethyl)-8-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
IUPAC Name: 2-(2-hydroxypropan-2-yl)-8-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
SYSTEMATIC NAME: 8-methoxy-9-methyl-2-(2-oxidanylpropan-2-yl)-2,3-dihydrofuro[2,3-b]quinolin-4-one
MOLECULAR FORMULA: C16H19NO4
MOLECULAR WEIGHT: 289.32636
SMILES: CC(C)(C1CC2=C(O1)N(C3=C(C2=O)C=CC=C3OC)C)O
Structure:
CAS RN: 47122-52-1
CAS Name: 3-ethyl-2-hexyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
OPENEYE Name: 3-ethyl-2-hexyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
IUPAC Name: 3-ethyl-2-hexyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
SYSTEMATIC NAME: 3-ethyl-2-hexyl-5H-1$l^{6},2,4-benzothiadiazepine 1,1-dioxide
MOLECULAR FORMULA: C16H24N2O2S
MOLECULAR WEIGHT: 308.43896
SMILES: CCCCCCN1C(=NCC2=CC=CC=C2S1(=O)=O)CC
Structure:
CAS RN: 47085-76-7
CAS Name: 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
OPENEYE Name: 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[2-(diethylamino)ethyl]acetamide
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)phenoxy]-N-[2-(diethylamino)ethyl]ethanamide
MOLECULAR FORMULA: C14H20Cl2N2O2
MOLECULAR WEIGHT: 319.2268
SMILES: CCN(CC)CCNC(=O)COC1=C(C=C(C=C1)Cl)Cl
Structure:
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