CAS RN: 5975-04-2
CAS Name: 2-(4-bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-(4-bromoanilino)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(4-bromoanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[(4-bromophenyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16BrNO5
MOLECULAR WEIGHT: 334.16314
SMILES: C1=CC(=CC=C1NC2C(C(C(C(O2)CO)O)O)O)Br
Structure:
CAS RN: 5975-03-1
CAS Name: 2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-(4-chloroanilino)-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(4-chloroanilino)-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[(4-chlorophenyl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16ClNO5
MOLECULAR WEIGHT: 289.71214
SMILES: C1=CC(=CC=C1NC2C(C(C(C(O2)CO)O)O)O)Cl
Structure:
CAS RN: 2893-21-2
CAS Name: 2-(hydroxymethyl)-6-(4-nitroanilino)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(4-nitroanilino)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(4-nitroanilino)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[(4-nitrophenyl)amino]oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16N2O7
MOLECULAR WEIGHT: 300.26464
SMILES: C1=CC(=CC=C1NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O-]
Structure:
CAS RN: 5154-10-9
CAS Name: 2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-anilino-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-phenylazanyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H17NO5
MOLECULAR WEIGHT: 255.26708
SMILES: C1=CC=C(C=C1)NC2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 56035-64-4
CAS Name: 2,4-dichloro-6-methyl-5-pyrimidinecarbonitrile
OPENEYE Name: 2,4-dichloro-6-methyl-pyrimidine-5-carbonitrile
IUPAC Name: 2,4-dichloro-6-methylpyrimidine-5-carbonitrile
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-methyl-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C6H3Cl2N3
MOLECULAR WEIGHT: 188.01412
SMILES: CC1=C(C(=NC(=N1)Cl)Cl)C#N
Structure:
CAS RN: 3149-26-6
CAS Name: 2-methoxy-3-methylquinoxaline
OPENEYE Name: 2-methoxy-3-methyl-quinoxaline
IUPAC Name: 2-methoxy-3-methylquinoxaline
SYSTEMATIC NAME: 2-methoxy-3-methyl-quinoxaline
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: CC1=NC2=CC=CC=C2N=C1OC
Structure:
CAS RN: 6479-18-1
CAS Name: 1-methyl-2-quinoxalinone
OPENEYE Name: 1-methylquinoxalin-2-one
IUPAC Name: 1-methylquinoxalin-2-one
SYSTEMATIC NAME: 1-methylquinoxalin-2-one
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CN1C2=CC=CC=C2N=CC1=O
Structure:
CAS RN: 18916-46-6
CAS Name: 3-methoxy-1-oxidoquinoxalin-1-ium
OPENEYE Name: 3-methoxy-1-oxido-quinoxalin-1-ium
IUPAC Name: 3-methoxy-1-oxidoquinoxalin-1-ium
SYSTEMATIC NAME: 3-methoxy-1-oxidanidyl-quinoxalin-1-ium
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC1=NC2=CC=CC=C2[N+](=C1)[O-]
Structure:
CAS RN: 21948-73-2
CAS Name: 2-(methylthio)quinoxaline
OPENEYE Name: 2-methylsulfanylquinoxaline
IUPAC Name: 2-methylsulfanylquinoxaline
SYSTEMATIC NAME: 2-methylsulfanylquinoxaline
MOLECULAR FORMULA: C9H8N2S
MOLECULAR WEIGHT: 176.23822
SMILES: CSC1=NC2=CC=CC=C2N=C1
Structure:
CAS RN: 90418-02-3
CAS Name: 1-methyl-2-quinoxalinethione
OPENEYE Name: 1-methylquinoxaline-2-thione
IUPAC Name: 1-methylquinoxaline-2-thione
SYSTEMATIC NAME: 1-methylquinoxaline-2-thione
MOLECULAR FORMULA: C9H8N2S
MOLECULAR WEIGHT: 176.23822
SMILES: CN1C2=CC=CC=C2N=CC1=S
Structure:
CAS RN: 35552-76-2
CAS Name: N,N-dimethyl-2-quinoxalinamine
OPENEYE Name: N,N-dimethylquinoxalin-2-amine
IUPAC Name: N,N-dimethylquinoxalin-2-amine
SYSTEMATIC NAME: N,N-dimethylquinoxalin-2-amine
MOLECULAR FORMULA: C10H11N3
MOLECULAR WEIGHT: 173.21444
SMILES: CN(C)C1=NC2=CC=CC=C2N=C1
Structure:
CAS RN: 6479-17-0
CAS Name: N-methyl-2-quinoxalinamine
OPENEYE Name: N-methylquinoxalin-2-amine
IUPAC Name: N-methylquinoxalin-2-amine
SYSTEMATIC NAME: N-methylquinoxalin-2-amine
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: CNC1=NC2=CC=CC=C2N=C1
Structure:
CAS RN: 3149-25-5
CAS Name: 1,3-dimethyl-2-quinoxalinone
OPENEYE Name: 1,3-dimethylquinoxalin-2-one
IUPAC Name: 1,3-dimethylquinoxalin-2-one
SYSTEMATIC NAME: 1,3-dimethylquinoxalin-2-one
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: CC1=NC2=CC=CC=C2N(C1=O)C
Structure:
CAS RN: 58175-07-8
CAS Name: 1,4-dimethylquinoxaline-2,3-dione
OPENEYE Name: 1,4-dimethylquinoxaline-2,3-dione
IUPAC Name: 1,4-dimethylquinoxaline-2,3-dione
SYSTEMATIC NAME: 1,4-dimethylquinoxaline-2,3-dione
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: CN1C2=CC=CC=C2N(C(=O)C1=O)C
Structure:
CAS RN: 28891-34-1
CAS Name: 1,3-benzothiazole-2-carbohydrazide
OPENEYE Name: 1,3-benzothiazole-2-carbohydrazide
IUPAC Name: 1,3-benzothiazole-2-carbohydrazide
SYSTEMATIC NAME: 1,3-benzothiazole-2-carbohydrazide
MOLECULAR FORMULA: C8H7N3OS
MOLECULAR WEIGHT: 193.22568
SMILES: C1=CC=C2C(=C1)N=C(S2)C(=O)NN
Structure:
CAS RN: 4100-13-4
CAS Name: 4-thiadiazolecarboxylic acid
OPENEYE Name: thiadiazole-4-carboxylic acid
IUPAC Name: thiadiazole-4-carboxylic acid
SYSTEMATIC NAME: 1,2,3-thiadiazole-4-carboxylic acid
MOLECULAR FORMULA: C3H2N2O2S
MOLECULAR WEIGHT: 130.12518
SMILES: C1=C(N=NS1)C(=O)O
Structure:
CAS RN: 92700-05-5
CAS Name: N,N-bis(2-chloroethyl)-4-(4-morpholinyliminomethyl)aniline
OPENEYE Name: N,N-bis(2-chloroethyl)-4-(morpholinoiminomethyl)aniline
IUPAC Name: N,N-bis(2-chloroethyl)-4-(morpholin-4-yliminomethyl)aniline
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-(morpholin-4-yliminomethyl)aniline
MOLECULAR FORMULA: C15H21Cl2N3O
MOLECULAR WEIGHT: 330.25274
SMILES: C1COCCN1N=CC2=CC=C(C=C2)N(CCCl)CCCl
Structure:
CAS RN: 52632-06-1
CAS Name: 2-isocyanato-4-(methylthio)butanoic acid ethyl ester
OPENEYE Name: ethyl 2-isocyanato-4-methylsulfanyl-butanoate
IUPAC Name: ethyl 2-isocyanato-4-methylsulfanylbutanoate
SYSTEMATIC NAME: ethyl 2-isocyanato-4-methylsulfanyl-butanoate
MOLECULAR FORMULA: C8H13NO3S
MOLECULAR WEIGHT: 203.25872
SMILES: CCOC(=O)C(CCSC)N=C=O
Structure:
CAS RN: 15445-40-6
CAS Name: N-ethyl-3-pentanimine
OPENEYE Name: N-ethylpentan-3-imine
IUPAC Name: N-ethylpentan-3-imine
SYSTEMATIC NAME: N-ethylpentan-3-imine
MOLECULAR FORMULA: C7H15N
MOLECULAR WEIGHT: 113.2007
SMILES: CCC(=NCC)CC
Structure:
CAS RN: 18087-26-8
CAS Name: N4-propan-2-yl-N1-[4-(propan-2-ylamino)phenyl]benzene-1,4-diamine
OPENEYE Name: N4-isopropyl-N1-[4-(isopropylamino)phenyl]benzene-1,4-diamine
IUPAC Name: 4-N-propan-2-yl-1-N-[4-(propan-2-ylamino)phenyl]benzene-1,4-diamine
SYSTEMATIC NAME: N4-propan-2-yl-N1-[4-(propan-2-ylamino)phenyl]benzene-1,4-diamine
MOLECULAR FORMULA: C18H25N3
MOLECULAR WEIGHT: 283.4112
SMILES: CC(C)NC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(C)C
Structure:
CAS RN: 34561-23-4
CAS Name: N1,N4-bis(3-methylbutyl)benzene-1,4-diamine
OPENEYE Name: N1,N4-diisopentylbenzene-1,4-diamine
IUPAC Name: 1-N,4-N-bis(3-methylbutyl)benzene-1,4-diamine
SYSTEMATIC NAME: N1,N4-bis(3-methylbutyl)benzene-1,4-diamine
MOLECULAR FORMULA: C16H28N2
MOLECULAR WEIGHT: 248.40692
SMILES: CC(C)CCNC1=CC=C(C=C1)NCCC(C)C
Structure:
CAS RN: 4734-68-3
CAS Name: N1,N4-didecylbenzene-1,4-diamine
OPENEYE Name: N1,N4-didecylbenzene-1,4-diamine
IUPAC Name: 1-N,4-N-didecylbenzene-1,4-diamine
SYSTEMATIC NAME: N1,N4-didecylbenzene-1,4-diamine
MOLECULAR FORMULA: C26H48N2
MOLECULAR WEIGHT: 388.67272
SMILES: CCCCCCCCCCNC1=CC=C(C=C1)NCCCCCCCCCC
Structure:
CAS RN: 4724-56-5
CAS Name: 4-methylbenzenesulfonic acid 4-(4-methylphenyl)sulfonyloxybutyl ester
OPENEYE Name: 4-(p-tolylsulfonyloxy)butyl 4-methylbenzenesulfonate
IUPAC Name: 4-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 4-(4-methylphenyl)sulfonyloxybutyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C18H22O6S2
MOLECULAR WEIGHT: 398.49368
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCCCOS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 26365-25-3
CAS Name: 2-(hydroxymethyl)-6-(2,3,4-trihydroxybutoxy)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(2,3,4-trihydroxybutoxy)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(2,3,4-trihydroxybutoxy)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[2,3,4-tris(oxidanyl)butoxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C10H20O9
MOLECULAR WEIGHT: 284.2604
SMILES: C(C1C(C(C(C(O1)OCC(C(CO)O)O)O)O)O)O
Structure:
CAS RN: 50-90-8
CAS Name: 5-chloro-1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-chloro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-chloranyl-1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11ClN2O5
MOLECULAR WEIGHT: 262.64704
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)Cl)CO)O
Structure:
CAS RN: 5900-40-3
CAS Name: 6-methyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
OPENEYE Name: 6-methyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
IUPAC Name: 6-methyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C6H5N3O2
MOLECULAR WEIGHT: 151.1228
SMILES: CC1=C(C(=O)NC(=O)N1)C#N
Structure:
CAS RN: 3263-10-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H24N2O2
MOLECULAR WEIGHT: 384.47026
SMILES: COC1=CC=C(C=C1)C2C(=NC3=CC=CC4=C3N2CCC4)C5=CC=C(C=C5)OC
Structure:
CAS RN: 33344-19-3
CAS Name: 2-amino-6-(4-chloroanilino)-1H-pyrimidin-4-one
OPENEYE Name: 2-amino-6-(4-chloroanilino)-1H-pyrimidin-4-one
IUPAC Name: 2-amino-6-(4-chloroanilino)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-[(4-chlorophenyl)amino]-1H-pyrimidin-4-one
MOLECULAR FORMULA: C10H9ClN4O
MOLECULAR WEIGHT: 236.65766
SMILES: C1=CC(=CC=C1NC2=CC(=O)N=C(N2)N)Cl
Structure:
CAS RN: 60693-33-6
CAS Name: 4-(2,5-dioxo-1-pyrrolidinyl)benzoic acid
OPENEYE Name: 4-(2,5-dioxopyrrolidin-1-yl)benzoic acid
IUPAC Name: 4-(2,5-dioxopyrrolidin-1-yl)benzoic acid
SYSTEMATIC NAME: 4-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoic acid
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: C1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 21834-39-9
CAS Name: N-butyl-4-(4-morpholinyl)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine
OPENEYE Name: N-butyl-4-morpholino-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
IUPAC Name: N-butyl-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: N-butyl-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C15H26N6O
MOLECULAR WEIGHT: 306.40654
SMILES: CCCCNC1=NC(=NC(=N1)N2CCOCC2)N3CCCC3
Structure:
CAS RN: 38551-14-3
CAS Name: N2,N2-dibutyl-N6,N6-diethyl-N4,N4-dipropyl-1,3,5-triazine-2,4,6-triamine
OPENEYE Name: N2,N2-dibutyl-N6,N6-diethyl-N4,N4-dipropyl-1,3,5-triazine-2,4,6-triamine
IUPAC Name: 2-N,2-N-dibutyl-6-N,6-N-diethyl-4-N,4-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SYSTEMATIC NAME: N2,N2-dibutyl-N6,N6-diethyl-N4,N4-dipropyl-1,3,5-triazine-2,4,6-triamine
MOLECULAR FORMULA: C21H42N6
MOLECULAR WEIGHT: 378.59838
SMILES: CCCCN(CCCC)C1=NC(=NC(=N1)N(CCC)CCC)N(CC)CC
Structure:
CAS RN: 15147-67-8
CAS Name: methanesulfonic acid [5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl methanesulfonate
IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl methanesulfonate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl methanesulfonate
MOLECULAR FORMULA: C10H14N2O8S
MOLECULAR WEIGHT: 322.29176
SMILES: CS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O
Structure:
CAS RN: 3257-77-0
CAS Name: methanesulfonic acid [5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl methanesulfonate
IUPAC Name: [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl methanesulfonate
SYSTEMATIC NAME: [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl methanesulfonate
MOLECULAR FORMULA: C10H14N2O8S
MOLECULAR WEIGHT: 322.29176
SMILES: CS(=O)(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O)O
Structure:
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