CAS RN: 5731-18-0
CAS Name: 1-(phenylmethyl)-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-benzylpyrrolidine-3-carboxylic acid
IUPAC Name: 1-benzylpyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-(phenylmethyl)pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: C1CN(CC1C(=O)O)CC2=CC=CC=C2
Structure:
CAS RN: 435341-96-1
CAS Name: 4-[(diethylammonio)methyl]-2-methyl-5-(2-methylpropyl)-3-furancarboxylate
OPENEYE Name: 4-[(diethylammonio)methyl]-5-isobutyl-2-methyl-furan-3-carboxylate
IUPAC Name: 4-[(diethylazaniumyl)methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylate
SYSTEMATIC NAME: 4-[(diethylazaniumyl)methyl]-2-methyl-5-(2-methylpropyl)furan-3-carboxylate
MOLECULAR FORMULA: C15H25NO3
MOLECULAR WEIGHT: 267.3639
SMILES: CC[NH+](CC)CC1=C(OC(=C1C(=O)[O-])C)CC(C)C
Structure:
CAS RN: 59252-36-7
CAS Name: heptadecanoic acid 1-oxoheptadecyl ester
OPENEYE Name: heptadecanoyl heptadecanoate
IUPAC Name: heptadecanoyl heptadecanoate
SYSTEMATIC NAME: heptadecanoyl heptadecanoate
MOLECULAR FORMULA: C34H66O3
MOLECULAR WEIGHT: 522.88604
SMILES: CCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCC
Structure:
CAS RN: 229342-86-3
CAS Name: 3-chloro-4-methyl-2-thiophenecarboxylic acid
OPENEYE Name: 3-chloro-4-methyl-thiophene-2-carboxylic acid
IUPAC Name: 3-chloro-4-methylthiophene-2-carboxylic acid
SYSTEMATIC NAME: 3-chloranyl-4-methyl-thiophene-2-carboxylic acid
MOLECULAR FORMULA: C6H5ClO2S
MOLECULAR WEIGHT: 176.6207
SMILES: CC1=CSC(=C1Cl)C(=O)O
Structure:
CAS RN: 52055-23-9
CAS Name: 2-(5-phenylmethoxy-1H-indol-3-yl)ethylammonium
OPENEYE Name: 2-(5-benzyloxy-1H-indol-3-yl)ethylammonium
IUPAC Name: 2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
SYSTEMATIC NAME: 2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
MOLECULAR FORMULA: C17H19N2O+
MOLECULAR WEIGHT: 267.34556
SMILES: C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC[NH3+]
Structure:
CAS RN: 28123-73-1
CAS Name: 5-(4-nitrophenyl)-2-furancarboxylate
OPENEYE Name: 5-(4-nitrophenyl)furan-2-carboxylate
IUPAC Name: 5-(4-nitrophenyl)furan-2-carboxylate
SYSTEMATIC NAME: 5-(4-nitrophenyl)furan-2-carboxylate
MOLECULAR FORMULA: C11H6NO5-
MOLECULAR WEIGHT: 232.16904
SMILES: C1=CC(=CC=C1C2=CC=C(O2)C(=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 64700-15-8
CAS Name: 2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]acetate
OPENEYE Name: 2-(4-methyl-2-oxo-chromen-7-yl)oxyacetate
IUPAC Name: 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SYSTEMATIC NAME: 2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoate
MOLECULAR FORMULA: C12H9O5-
MOLECULAR WEIGHT: 233.19686
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)[O-]
Structure:
CAS RN: 6419-36-9
CAS Name: 2-(3-pyridinyl)acetate
OPENEYE Name: 2-(3-pyridyl)acetate
IUPAC Name: 2-pyridin-3-ylacetate
SYSTEMATIC NAME: 2-pyridin-3-ylethanoate
MOLECULAR FORMULA: C7H6NO2-
MOLECULAR WEIGHT: 136.12804
SMILES: C1=CC(=CN=C1)CC(=O)[O-]
Structure:
CAS RN: 72626-61-0
CAS Name: 7-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4-methyl-1-benzopyran-2-one
OPENEYE Name: 7-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-methyl-chromen-2-one
IUPAC Name: 7-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-methylchromen-2-one
SYSTEMATIC NAME: 7-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-4-methyl-chromen-2-one
MOLECULAR FORMULA: C22H28O13
MOLECULAR WEIGHT: 500.44992
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O
Structure:
CAS RN: 22246-76-0
CAS Name: 8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
OPENEYE Name: 8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
IUPAC Name: 8-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one
SYSTEMATIC NAME: 8-azanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C1CC2=C(C=C(C=C2)N)NC(=O)C1
Structure:
CAS RN: 40397-95-3
CAS Name: 2-chloro-1-isocyanato-4-nitrobenzene
OPENEYE Name: 2-chloro-1-isocyanato-4-nitro-benzene
IUPAC Name: 2-chloro-1-isocyanato-4-nitrobenzene
SYSTEMATIC NAME: 2-chloranyl-1-isocyanato-4-nitro-benzene
MOLECULAR FORMULA: C7H3ClN2O3
MOLECULAR WEIGHT: 198.56332
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)N=C=O
Structure:
CAS RN: 544-47-8
CAS Name: [amino-[(4-chlorophenyl)methylthio]methylidene]ammonium
OPENEYE Name: [amino-[(4-chlorophenyl)methylsulfanyl]methylene]ammonium
IUPAC Name: [amino-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
SYSTEMATIC NAME: [azanyl-[(4-chlorophenyl)methylsulfanyl]methylidene]azanium
MOLECULAR FORMULA: C8H10ClN2S+
MOLECULAR WEIGHT: 201.6964
SMILES: C1=CC(=CC=C1CSC(=[NH2+])N)Cl
Structure:
CAS RN: 4968-46-1
CAS Name: N-(3-chlorophenyl)-1-cyanomethanethioamide
OPENEYE Name: N-(3-chlorophenyl)-1-cyano-thioformamide
IUPAC Name: N-(3-chlorophenyl)-1-cyanomethanethioamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-1-cyano-methanethioamide
MOLECULAR FORMULA: C8H5ClN2S
MOLECULAR WEIGHT: 196.6567
SMILES: C1=CC(=CC(=C1)Cl)NC(=S)C#N
Structure:
CAS RN: 15806-44-7
CAS Name: octadecanoic acid 1-naphthalenyl ester
OPENEYE Name: 1-naphthyl octadecanoate
IUPAC Name: naphthalen-1-yl octadecanoate
SYSTEMATIC NAME: naphthalen-1-yl octadecanoate
MOLECULAR FORMULA: C28H42O2
MOLECULAR WEIGHT: 410.63188
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 167276-67-7
CAS Name: heptanediimidamide
OPENEYE Name: heptanediamidine
IUPAC Name: heptanediimidamide
SYSTEMATIC NAME: heptanediimidamide
MOLECULAR FORMULA: C7H16N4
MOLECULAR WEIGHT: 156.22874
SMILES: C(CCC(=N)N)CCC(=N)N
Structure:
CAS RN: 6311-07-5
CAS Name: 1-[3-methyl-4-[(5-nitro-2-pyridinyl)azo]-1-naphthalenyl]-2-(5-nitro-2-pyridinyl)hydrazine
OPENEYE Name: 1-[3-methyl-4-[(5-nitro-2-pyridyl)azo]-1-naphthyl]-2-(5-nitro-2-pyridyl)hydrazine
IUPAC Name: 1-[3-methyl-4-[(5-nitropyridin-2-yl)diazenyl]naphthalen-1-yl]-2-(5-nitropyridin-2-yl)hydrazine
SYSTEMATIC NAME: 1-[3-methyl-4-[(5-nitropyridin-2-yl)diazenyl]naphthalen-1-yl]-2-(5-nitropyridin-2-yl)diazane
MOLECULAR FORMULA: C21H16N8O4
MOLECULAR WEIGHT: 444.40294
SMILES: CC1=C(C2=CC=CC=C2C(=C1)NNC3=NC=C(C=C3)[N+](=O)[O-])N=NC4=NC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 6311-01-9
CAS Name: 1-(5-nitro-2-pyridinyl)-2-[4-[(5-nitro-2-pyridinyl)azo]-1-naphthalenyl]hydrazine
OPENEYE Name: 1-(5-nitro-2-pyridyl)-2-[4-[(5-nitro-2-pyridyl)azo]-1-naphthyl]hydrazine
IUPAC Name: 1-(5-nitropyridin-2-yl)-2-[4-[(5-nitropyridin-2-yl)diazenyl]naphthalen-1-yl]hydrazine
SYSTEMATIC NAME: 1-(5-nitropyridin-2-yl)-2-[4-[(5-nitropyridin-2-yl)diazenyl]naphthalen-1-yl]diazane
MOLECULAR FORMULA: C20H14N8O4
MOLECULAR WEIGHT: 430.37636
SMILES: C1=CC=C2C(=C1)C(=CC=C2N=NC3=NC=C(C=C3)[N+](=O)[O-])NNC4=NC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 5802-17-5
CAS Name: 6-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 6-methoxychroman-4-one
IUPAC Name: 6-methoxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 6-methoxy-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: COC1=CC2=C(C=C1)OCCC2=O
Structure:
CAS RN: 4651-92-7
CAS Name: 2-amino-4-ethyl-5-methyl-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-4-ethyl-5-methyl-thiophene-3-carbonitrile
IUPAC Name: 2-amino-4-ethyl-5-methylthiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-ethyl-5-methyl-thiophene-3-carbonitrile
MOLECULAR FORMULA: C8H10N2S
MOLECULAR WEIGHT: 166.2434
SMILES: CCC1=C(SC(=C1C#N)N)C
Structure:
CAS RN: 6964-82-5
CAS Name: 1-[(2,4-dichlorophenyl)methylideneamino]-3-(1-naphthalenyl)thiourea
OPENEYE Name: 1-[(2,4-dichlorophenyl)methyleneamino]-3-(1-naphthyl)thiourea
IUPAC Name: 1-[(2,4-dichlorophenyl)methylideneamino]-3-naphthalen-1-ylthiourea
SYSTEMATIC NAME: 1-[(2,4-dichlorophenyl)methylideneamino]-3-naphthalen-1-yl-thiourea
MOLECULAR FORMULA: C18H13Cl2N3S
MOLECULAR WEIGHT: 374.28692
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=S)NN=CC3=C(C=C(C=C3)Cl)Cl
Structure:
CAS RN: 17012-21-4
CAS Name: 1-(phenylmethyl)-3-pyrrolidinecarboxylic acid methyl ester
OPENEYE Name: methyl 1-benzylpyrrolidine-3-carboxylate
IUPAC Name: methyl 1-benzylpyrrolidine-3-carboxylate
SYSTEMATIC NAME: methyl 1-(phenylmethyl)pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: COC(=O)C1CCN(C1)CC2=CC=CC=C2
Structure:
CAS RN: 99361-74-7
CAS Name: 4,6-dinitrobenzene-1,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4,6-dinitrobenzene-1,3-dicarboxylate
IUPAC Name: dimethyl 4,6-dinitrobenzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 4,6-dinitrobenzene-1,3-dicarboxylate
MOLECULAR FORMULA: C10H8N2O8
MOLECULAR WEIGHT: 284.17912
SMILES: COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 5807-96-5
CAS Name: 4-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid
OPENEYE Name: 4-[5-[[4-(dimethylamino)phenyl]methylene]-2,4,6-trioxo-hexahydropyrimidin-1-yl]benzoic acid
IUPAC Name: 4-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4,6-trioxo-1,3-diazinan-1-yl]benzoic acid
SYSTEMATIC NAME: 4-[5-[[4-(dimethylamino)phenyl]methylidene]-2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]benzoic acid
MOLECULAR FORMULA: C20H17N3O5
MOLECULAR WEIGHT: 379.36608
SMILES: CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
Structure:
CAS RN: 653-99-6
CAS Name: 2-fluoro-6-(methylthio)-7H-purine
OPENEYE Name: 2-fluoro-6-methylsulfanyl-7H-purine
IUPAC Name: 2-fluoro-6-methylsulfanyl-7H-purine
SYSTEMATIC NAME: 2-fluoranyl-6-methylsulfanyl-7H-purine
MOLECULAR FORMULA: C6H5FN4S
MOLECULAR WEIGHT: 184.194103
SMILES: CSC1=NC(=NC2=C1NC=N2)F
Structure:
CAS RN: 50610-32-7
CAS Name: N-(4-acetamido-3-chlorophenyl)acetamide
OPENEYE Name: N-(4-acetamido-3-chloro-phenyl)acetamide
IUPAC Name: N-(4-acetamido-3-chlorophenyl)acetamide
SYSTEMATIC NAME: N-(4-acetamido-3-chloranyl-phenyl)ethanamide
MOLECULAR FORMULA: C10H11ClN2O2
MOLECULAR WEIGHT: 226.65954
SMILES: CC(=O)NC1=CC(=C(C=C1)NC(=O)C)Cl
Structure:
CAS RN: 94088-21-8
CAS Name: 3-(2-hydroxycyclohexyl)propanoic acid ethyl ester
OPENEYE Name: ethyl 3-(2-hydroxycyclohexyl)propanoate
IUPAC Name: ethyl 3-(2-hydroxycyclohexyl)propanoate
SYSTEMATIC NAME: ethyl 3-(2-oxidanylcyclohexyl)propanoate
MOLECULAR FORMULA: C11H20O3
MOLECULAR WEIGHT: 200.2747
SMILES: CCOC(=O)CCC1CCCCC1O
Structure:
CAS RN: 71901-21-8
CAS Name: 6-amino-2-[[2-[[2-[[2-[[2-[(2-formamido-1-oxohexyl)amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid
OPENEYE Name: 6-amino-2-[[2-[2-[[2-[[2-(2-formamidohexanoylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
IUPAC Name: 6-amino-2-[[2-[2-[[2-[[2-(2-formamidohexanoylamino)-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
SYSTEMATIC NAME: 6-azanyl-2-[[2-[2-[[2-[[2-(2-formamidohexanoylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoylamino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C43H65N7O9
MOLECULAR WEIGHT: 824.0177
SMILES: CCCCC(C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCC)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCCN)C(=O)O)NC=O
Structure:
CAS RN: 301180-04-1
CAS Name: piperidine-1,3-dicarboxylic acid O3-tert-butyl ester O1-(phenylmethyl) ester
OPENEYE Name: O1-benzyl O3-tert-butyl piperidine-1,3-dicarboxylate
IUPAC Name: 1-O-benzyl 3-O-tert-butyl piperidine-1,3-dicarboxylate
SYSTEMATIC NAME: O3-tert-butyl O1-(phenylmethyl) piperidine-1,3-dicarboxylate
MOLECULAR FORMULA: C18H25NO4
MOLECULAR WEIGHT: 319.3954
SMILES: CC(C)(C)OC(=O)C1CCCN(C1)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 34620-76-3
CAS Name: 4-[[5-[[5-[[3,4-dihydroxy-6-(hydroxymethyl)-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,3,5,6-tetrahydroxyhexanal
OPENEYE Name: 4-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,3,5,6-tetrahy
IUPAC Name: 4-[5-[5-[3,4-dihydroxy-6-(hydroxymethyl)-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal
SYSTEMATIC NAME: 4-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanal
MOLECULAR FORMULA: C30H52O26
MOLECULAR WEIGHT: 828.71828
SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC(C(CO)O)C(C(C=O)O)O)CO)CO)CO)O)O)O)O
Structure:
CAS RN: 75727-47-8
CAS Name: 5-(4-methyl-1-piperazin-4-iumyl)-5-oxopentanoate
OPENEYE Name: 5-(4-methylpiperazin-4-ium-1-yl)-5-oxo-pentanoate
IUPAC Name: 5-(4-methylpiperazin-4-ium-1-yl)-5-oxopentanoate
SYSTEMATIC NAME: 5-(4-methylpiperazin-4-ium-1-yl)-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C10H18N2O3
MOLECULAR WEIGHT: 214.26152
SMILES: C[NH+]1CCN(CC1)C(=O)CCCC(=O)[O-]
Structure:
CAS RN: 107410-59-3
CAS Name: 1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
OPENEYE Name: 1-(4-nitrophenyl)-3-(p-tolylsulfonyl)urea
IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
MOLECULAR FORMULA: C14H13N3O5S
MOLECULAR WEIGHT: 335.33512
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 75848-76-9
CAS Name: 3,5-dibromo-2-[6-(2,4-dibromo-6-carboxyphenoxy)-1,6-dioxohexoxy]benzoic acid
OPENEYE Name: 3,5-dibromo-2-[6-(2,4-dibromo-6-carboxy-phenoxy)-6-oxo-hexanoyl]oxy-benzoic acid
IUPAC Name: 3,5-dibromo-2-[6-(2,4-dibromo-6-carboxyphenoxy)-6-oxohexanoyl]oxybenzoic acid
SYSTEMATIC NAME: 2-[6-[2,4-bis(bromanyl)-6-carboxy-phenoxy]-6-oxidanylidene-hexanoyl]oxy-3,5-bis(bromanyl)benzoic acid
MOLECULAR FORMULA: C20H14Br4O8
MOLECULAR WEIGHT: 701.93636
SMILES: C1=C(C=C(C(=C1Br)OC(=O)CCCCC(=O)OC2=C(C=C(C=C2C(=O)O)Br)Br)C(=O)O)Br
Structure:
CAS RN: 62638-88-4
CAS Name: 1-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-3-phenylthiourea
OPENEYE Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenyl-thiourea
IUPAC Name: 1-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-3-phenylthiourea
SYSTEMATIC NAME: 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-3-phenyl-thiourea
MOLECULAR FORMULA: C16H15N5OS2
MOLECULAR WEIGHT: 357.4532
SMILES: C1=CC=C(C=C1)NC(=S)NNC(=O)CSC2=NC3=CC=CC=C3N2
Structure:
CAS RN: 2550-71-2
CAS Name: 1-amino-3-anilinothiourea
OPENEYE Name: 1-amino-3-anilino-thiourea
IUPAC Name: 1-amino-3-anilinothiourea
SYSTEMATIC NAME: 1-azanyl-3-phenylazanyl-thiourea
MOLECULAR FORMULA: C7H10N4S
MOLECULAR WEIGHT: 182.2461
SMILES: C1=CC=C(C=C1)NNC(=S)NN
Structure:
CAS RN: 78111-14-5
CAS Name: 2-hydroxy-3-[7-hydroxy-4-[4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-methyl
OPENEYE Name: methyl 2-hydroxy-3-[7-hydroxy-4-[3-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-2-methyl-5,11-dioxaspiro[5.5]undec-1-
IUPAC Name: methyl 2-hydroxy-3-[7-hydroxy-4-[4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]
SYSTEMATIC NAME: methyl 2-methyl-3-[2-methyl-4-[4-[2-[3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-oxidanyl-5,11-dioxaspiro[5.5]undec-1-en-10
MOLECULAR FORMULA: C45H70O13
MOLECULAR WEIGHT: 819.0295
SMILES: CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)OC)O)O)C)O)O
Structure:
CAS RN: 91426-84-5
CAS Name: 6-[[5-bromo-6-methyl-2-(methylthio)-4-pyrimidinyl]thio]-7H-purin-2-amine
OPENEYE Name: 6-(5-bromo-6-methyl-2-methylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine
IUPAC Name: 6-(5-bromo-6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-7H-purin-2-amine
SYSTEMATIC NAME: 6-(5-bromanyl-6-methyl-2-methylsulfanyl-pyrimidin-4-yl)sulfanyl-7H-purin-2-amine
MOLECULAR FORMULA: C11H10BrN7S2
MOLECULAR WEIGHT: 384.278
SMILES: CC1=C(C(=NC(=N1)SC)SC2=NC(=NC3=C2NC=N3)N)Br
Structure:
CAS RN: 96902-24-8
CAS Name: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
OPENEYE Name: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(p-tolyl)purino[7,8-a]imidazole-1,3-dione
IUPAC Name: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
SYSTEMATIC NAME: 6-(2-hydroxyethyl)-2,4-dimethyl-7-(4-methylphenyl)purino[7,8-a]imidazole-1,3-dione
MOLECULAR FORMULA: C18H19N5O3
MOLECULAR WEIGHT: 353.37516
SMILES: CC1=CC=C(C=C1)C2=CN3C4=C(N=C3N2CCO)N(C(=O)N(C4=O)C)C
Structure:
CAS RN: 51304-58-6
CAS Name: 4-phenyl-4-piperidin-1-iumcarbonitrile
OPENEYE Name: 4-phenylpiperidin-1-ium-4-carbonitrile
IUPAC Name: 4-phenylpiperidin-1-ium-4-carbonitrile
SYSTEMATIC NAME: 4-phenylpiperidin-1-ium-4-carbonitrile
MOLECULAR FORMULA: C12H15N2+
MOLECULAR WEIGHT: 187.2609
SMILES: C1C[NH2+]CCC1(C#N)C2=CC=CC=C2
Structure:
CAS RN: 33150-08-2
CAS Name: N-(2-hydroxy-3-methyl-5-nitrophenyl)acetamide
OPENEYE Name: N-(2-hydroxy-3-methyl-5-nitro-phenyl)acetamide
IUPAC Name: N-(2-hydroxy-3-methyl-5-nitrophenyl)acetamide
SYSTEMATIC NAME: N-(3-methyl-5-nitro-2-oxidanyl-phenyl)ethanamide
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: CC1=CC(=CC(=C1O)NC(=O)C)[N+](=O)[O-]
Structure:
CAS RN: 6945-55-7
CAS Name: 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid
OPENEYE Name: 2-methyl-5-oxo-3-thioxo-1,2,4-triazine-6-carboxylic acid
IUPAC Name: 2-methyl-5-oxo-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid
SYSTEMATIC NAME: 2-methyl-5-oxidanylidene-3-sulfanylidene-1,2,4-triazine-6-carboxylic acid
MOLECULAR FORMULA: C5H5N3O3S
MOLECULAR WEIGHT: 187.1765
SMILES: CN1C(=S)NC(=O)C(=N1)C(=O)O
Structure:
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