CAS RN: 102688-89-1
CAS Name: 3-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]propanoic acid hydrobromide
OPENEYE Name: 3-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]propanoic acid hydrobromide
IUPAC Name: 3-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]propanoic acid hydrobromide
SYSTEMATIC NAME: 3-[(4-methoxy-7,7-dimethyl-6,8-dihydropyrimido[4,5-b][1,4]benzothiazin-9-yl)amino]propanoic acid hydrobromide
MOLECULAR FORMULA: C16H21BrN4O3S
MOLECULAR WEIGHT: 429.33194
SMILES: CC1(CC(=C2C(=NC3=C(N=CN=C3S2)OC)C1)NCCC(=O)O)C.Br
Structure:
CAS RN: 3892-78-2
CAS Name: 10-[3-[4-(2-chloroethyl)-1-piperazinyl]propyl]-2-(trifluoromethyl)phenothiazine hydrochloride
OPENEYE Name: 10-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine hydrochloride
IUPAC Name: 10-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine hydrochloride
SYSTEMATIC NAME: 10-[3-[4-(2-chloroethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine hydrochloride
MOLECULAR FORMULA: C22H26Cl2F3N3S
MOLECULAR WEIGHT: 492.42815
SMILES: C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCCl.Cl
Structure:
CAS RN: 6562-92-1
CAS Name: 5-(chloromethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine hydrochloride
OPENEYE Name: 5-(chloromethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine hydrochloride
IUPAC Name: 5-(chloromethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine hydrochloride
SYSTEMATIC NAME: 5-(chloromethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine hydrochloride
MOLECULAR FORMULA: C11H15Cl2NO2
MOLECULAR WEIGHT: 264.1483
SMILES: CC1=NC=C(C2=C1OC(OC2)(C)C)CCl.Cl
Structure:
CAS RN: 658084-23-2
CAS Name: (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
OPENEYE Name: (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-N-methyl-2-oxo-indoline-5-sulfonamide
IUPAC Name: (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
SYSTEMATIC NAME: (3Z)-N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)carbonyl-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxidanylidene-1H-indole-5-sulfonamide
MOLECULAR FORMULA: C28H30ClN5O4S
MOLECULAR WEIGHT: 568.0869
SMILES: CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N(C)C5=CC(=CC=C5)Cl)NC3=O
Structure:
CAS RN: 221664-05-7
CAS Name: (Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-3-pentenoic acid
OPENEYE Name: (Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid
IUPAC Name: (Z)-5-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]pent-3-enoic acid
SYSTEMATIC NAME: (Z)-5-[(1S,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]pent-3-enoic acid
MOLECULAR FORMULA: C18H30O5
MOLECULAR WEIGHT: 326.4278
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CC(=O)O)O)O)O
Structure:
CAS RN: 29774-12-7
CAS Name: (9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
OPENEYE Name: (9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
IUPAC Name: (9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
SYSTEMATIC NAME: (9S,10E,12Z)-9-(dioxidanyl)octadeca-10,12-dienoic acid
MOLECULAR FORMULA: C18H32O4
MOLECULAR WEIGHT: 312.44428
SMILES: CCCCC/C=C\C=C\[C@H](CCCCCCCC(=O)O)OO
Structure:
CAS RN: 85951-62-8
CAS Name: (5S,6R,7E,9E,11Z,13E,15S)-6-[[(2R)-2-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]-3-(carboxymethylamino)-3-oxopropyl]thio]-5,15-dihydroxyeicosa-7,9,11,13-tetraenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,13E,15S)-6-[(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfanyl-5,15-dihydroxy-icosa-7,9,11,13-tetraenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,13E,15S)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5,15-dihydroxyicosa-7,9,11,13-tetraenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,13E,15S)-6-[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5,15-bis(oxidanyl)icosa-7,9,11,13-tetraenoic acid
MOLECULAR FORMULA: C30H47N3O10S
MOLECULAR WEIGHT: 641.77328
SMILES: CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)O
Structure:
CAS RN: 29611-01-6
CAS Name: (1E)-6-(methylthio)-N-sulfooxyhexanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-6-methylsulfanyl-N-sulfooxy-hexanimidothioate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-6-methylsulfanyl-N-sulfooxyhexanimidothioate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-6-methylsulfanyl-N-sulfooxy-hexanimidothioate
MOLECULAR FORMULA: C13H25NO9S3
MOLECULAR WEIGHT: 435.5339
SMILES: CSCCCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 471-67-0
CAS Name: (4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
OPENEYE Name: (4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
IUPAC Name: (4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
SYSTEMATIC NAME: (4aS,6aR,6aR,6bR,8aR,12aS,14aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicene
MOLECULAR FORMULA: C30H52
MOLECULAR WEIGHT: 412.73388
SMILES: C[C@@]12CC[C@@]3([C@@H]([C@@H]1CC(CC2)(C)C)CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C
Structure:
CAS RN: 28028-64-0
CAS Name: (1E,5E,8R)-1,5-dimethyl-8-(1-methylethenyl)cyclodeca-1,5-diene
OPENEYE Name: (1E,5E,8R)-8-isopropenyl-1,5-dimethyl-cyclodeca-1,5-diene
IUPAC Name: (1E,5E,8R)-1,5-dimethyl-8-prop-1-en-2-ylcyclodeca-1,5-diene
SYSTEMATIC NAME: (1E,5E,8R)-1,5-dimethyl-8-prop-1-en-2-yl-cyclodeca-1,5-diene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: C/C/1=C\CC/C(=C/C[C@@H](CC1)C(=C)C)/C
Structure:
CAS RN: 26888-03-9
CAS Name: (1E)-4-(methylthio)-N-sulfooxybutanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-4-methylsulfanyl-N-sulfooxy-butanimidothioate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxybutanimidothioate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-4-methylsulfanyl-N-sulfooxy-butanimidothioate
MOLECULAR FORMULA: C11H21NO9S3
MOLECULAR WEIGHT: 407.48074
SMILES: CSCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 21414-41-5
CAS Name: [(E)-[5-methylsulfinyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]pentylidene]amino] sulfate
OPENEYE Name: [(E)-[5-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-pentylidene]amino] sulfate
IUPAC Name: [(E)-[5-methylsulfinyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpentylidene]amino] sulfate
SYSTEMATIC NAME: [(E)-[1-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-5-methylsulfinyl-pentylidene]amino] sulfate
MOLECULAR FORMULA: C12H22NO10S3-
MOLECULAR WEIGHT: 436.49878
SMILES: CS(=O)CCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 19041-10-2
CAS Name: (1E)-N-sulfooxy-5-hexenimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-N-sulfooxyhex-5-enimidothioate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyhex-5-enimidothioate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-N-sulfooxyhex-5-enimidothioate
MOLECULAR FORMULA: C12H21NO9S2
MOLECULAR WEIGHT: 387.42644
SMILES: C=CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 19041-09-9
CAS Name: (1E)-N-sulfooxy-4-pentenimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-N-sulfooxypent-4-enimidothioate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxypent-4-enimidothioate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-N-sulfooxypent-4-enimidothioate
MOLECULAR FORMULA: C11H19NO9S2
MOLECULAR WEIGHT: 373.39986
SMILES: C=CCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Structure:
CAS RN: 499-30-9
CAS Name: (1E)-3-phenyl-N-sulfooxypropanimidothioic acid [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl] ester
OPENEYE Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-3-phenyl-N-sulfooxy-propanimidothioate
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxypropanimidothioate
SYSTEMATIC NAME: [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1E)-3-phenyl-N-sulfooxy-propanimidothioate
MOLECULAR FORMULA: C15H21NO9S2
MOLECULAR WEIGHT: 423.45854
SMILES: C1=CC=C(C=C1)CC/C(=N\OS(=O)(=O)O)/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 16568-02-8
CAS Name: N-[(E)-ethylideneamino]-N-methylformamide
OPENEYE Name: N-[(E)-ethylideneamino]-N-methyl-formamide
IUPAC Name: N-[(E)-ethylideneamino]-N-methylformamide
SYSTEMATIC NAME: N-[(E)-ethylideneamino]-N-methyl-methanamide
MOLECULAR FORMULA: C4H8N2O
MOLECULAR WEIGHT: 100.11912
SMILES: C/C=N/N(C)C=O
Structure:
CAS RN: 69349-96-8
CAS Name: N-[(E)-ethylideneamino]-N-methylformamide
OPENEYE Name: N-[(E)-ethylideneamino]-N-methyl-formamide
IUPAC Name: N-[(E)-ethylideneamino]-N-methylformamide
SYSTEMATIC NAME: N-[(E)-ethylideneamino]-N-methyl-methanamide
MOLECULAR FORMULA: C4H8N2O
MOLECULAR WEIGHT: 100.11912
SMILES: C/C=N/N(C)C=O
Structure:
CAS RN: 1821-52-9
CAS Name: 2-hydroxy-3-(1H-indol-3-yl)propanoate
OPENEYE Name: 2-hydroxy-3-(1H-indol-3-yl)propanoate
IUPAC Name: 2-hydroxy-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: 3-(1H-indol-3-yl)-2-oxidanyl-propanoate
MOLECULAR FORMULA: C11H10NO3-
MOLECULAR WEIGHT: 204.202
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])O
Structure:
CAS RN: 67-07-2
CAS Name: 2-[[(E)-amino(phosphonoimino)methyl]-methylamino]acetic acid
OPENEYE Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid
IUPAC Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]ethanoic acid
MOLECULAR FORMULA: C4H10N3O5P
MOLECULAR WEIGHT: 211.113061
SMILES: CN(CC(=O)O)/C(=N/P(=O)(O)O)/N
Structure:
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