CAS RN: 26178-14-3
CAS Name: 3-methyl-1,2,5-oxadiazole
OPENEYE Name: 3-methyl-1,2,5-oxadiazole
IUPAC Name: 3-methyl-1,2,5-oxadiazole
SYSTEMATIC NAME: 3-methyl-1,2,5-oxadiazole
MOLECULAR FORMULA: C3H4N2O
MOLECULAR WEIGHT: 84.07666
SMILES: CC1=NON=C1
Structure:
CAS RN: 37614-57-6
CAS Name: 3-(4-chlorophenyl)-2-propyn-1-ol
OPENEYE Name: 3-(4-chlorophenyl)prop-2-yn-1-ol
IUPAC Name: 3-(4-chlorophenyl)prop-2-yn-1-ol
SYSTEMATIC NAME: 3-(4-chlorophenyl)prop-2-yn-1-ol
MOLECULAR FORMULA: C9H7ClO
MOLECULAR WEIGHT: 166.60428
SMILES: C1=CC(=CC=C1C#CCO)Cl
Structure:
CAS RN: 5695-29-4
CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-4-quinolinecarboxamide
OPENEYE Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-thienyl)quinoline-4-carboxamide
IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-ylquinoline-4-carboxamide
SYSTEMATIC NAME: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophen-2-yl-quinoline-4-carboxamide
MOLECULAR FORMULA: C22H16N2O3S
MOLECULAR WEIGHT: 388.43904
SMILES: C1COC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5
Structure:
CAS RN: 1308-04-9
CAS Name: oxo(oxocobaltiooxy)cobalt
OPENEYE Name: oxo(oxocobaltiooxy)cobalt
IUPAC Name: oxo(oxocobaltiooxy)cobalt
SYSTEMATIC NAME: oxidanylidene(oxidanylidenecobaltiooxy)cobalt
MOLECULAR FORMULA: Co2O3
MOLECULAR WEIGHT: 165.8646
SMILES: O=[Co]O[Co]=O
Structure:
CAS RN: 103131-69-7
CAS Name: 2-[[2-[[2-[[[1-[2-[[2-[[2-[[2-[(2-amino-3-methyl-1-oxopentyl)amino]-1-oxopropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(4-hy
OPENEYE Name: 2-[[2-[[2-[[1-[2-[[2-[[2-[2-[(2-amino-3-methyl-pentanoyl)amino]propanoylamino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]ami
IUPAC Name: 2-[[2-[[2-[[1-[2-[[2-[[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]
SYSTEMATIC NAME: 2-[[2-[[2-[[1-[2-[[2-[[2-[2-[(2-azanyl-3-methyl-pentanoyl)amino]propanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl
MOLECULAR FORMULA: C56H85N17O11
MOLECULAR WEIGHT: 1172.3814
SMILES: CCC(C)C(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC(C)C)C(=O)O)N
Structure:
CAS RN: 6456-08-2
CAS Name: 2,2,2-trifluoro-N-(2H-tetrazol-5-yl)acetamide
OPENEYE Name: 2,2,2-trifluoro-N-(2H-tetrazol-5-yl)acetamide
IUPAC Name: 2,2,2-trifluoro-N-(2H-tetrazol-5-yl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(fluoranyl)-N-(2H-1,2,3,4-tetrazol-5-yl)ethanamide
MOLECULAR FORMULA: C3H2F3N5O
MOLECULAR WEIGHT: 181.07609
SMILES: C1(=NNN=N1)NC(=O)C(F)(F)F
Structure:
CAS RN: 930-69-8
CAS Name: sodium benzenethiolate
OPENEYE Name: sodium benzenethiolate
IUPAC Name: sodium benzenethiolate
SYSTEMATIC NAME: sodium benzenethiolate
MOLECULAR FORMULA: C6H5NaS
MOLECULAR WEIGHT: 132.15867
SMILES: C1=CC=C(C=C1)[S-].[Na+]
Structure:
CAS RN: 24339-77-3
CAS Name: sodium benzenethiolate
OPENEYE Name: sodium benzenethiolate
IUPAC Name: sodium benzenethiolate
SYSTEMATIC NAME: sodium benzenethiolate
MOLECULAR FORMULA: C6H5NaS
MOLECULAR WEIGHT: 132.15867
SMILES: C1=CC=C(C=C1)[S-].[Na+]
Structure:
CAS RN: 50729-67-4
CAS Name: sodium benzenethiolate
OPENEYE Name: sodium benzenethiolate
IUPAC Name: sodium benzenethiolate
SYSTEMATIC NAME: sodium benzenethiolate
MOLECULAR FORMULA: C6H5NaS
MOLECULAR WEIGHT: 132.15867
SMILES: C1=CC=C(C=C1)[S-].[Na+]
Structure:
CAS RN: 89598-95-8
CAS Name: sodium benzenethiolate
OPENEYE Name: sodium benzenethiolate
IUPAC Name: sodium benzenethiolate
SYSTEMATIC NAME: sodium benzenethiolate
MOLECULAR FORMULA: C6H5NaS
MOLECULAR WEIGHT: 132.15867
SMILES: C1=CC=C(C=C1)[S-].[Na+]
Structure:
CAS RN: 3395-37-7
CAS Name: 3-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-7-bromo-N-(2-methoxyphenyl)-2-naphthalenecarboxamide
OPENEYE Name: 3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-7-bromo-N-(2-methoxyphenyl)naphthalene-2-carboxamide
IUPAC Name: 3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-bromo-N-(2-methoxyphenyl)naphthalene-2-carboxamide
SYSTEMATIC NAME: 3-[3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-bromanyl-N-(2-methoxyphenyl)naphthalene-2-carboxamide
MOLECULAR FORMULA: C26H27BrN2O8
MOLECULAR WEIGHT: 575.40518
SMILES: CC(=O)NC1C(C(C(OC1OC2=C(C=C3C=C(C=CC3=C2)Br)C(=O)NC4=CC=CC=C4OC)CO)O)O
Structure:
CAS RN: 2382-65-2
CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl [5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] hydrogen phosphate
OPENEYE Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
SYSTEMATIC NAME: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
MOLECULAR FORMULA: C19H25N8O12P
MOLECULAR WEIGHT: 588.421961
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4NC(=NC5=O)N)O)O)O
Structure:
CAS RN: 5657-19-2
CAS Name: 2-[[2-furanyl(oxo)methyl]amino]acetate
OPENEYE Name: 2-(furan-2-carbonylamino)acetate
IUPAC Name: 2-(furan-2-carbonylamino)acetate
SYSTEMATIC NAME: 2-(furan-2-ylcarbonylamino)ethanoate
MOLECULAR FORMULA: C7H6NO4-
MOLECULAR WEIGHT: 168.12684
SMILES: C1=COC(=C1)C(=O)NCC(=O)[O-]
Structure:
CAS RN: 67822-74-6
CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylate
OPENEYE Name: 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate
IUPAC Name: 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
SYSTEMATIC NAME: 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate
MOLECULAR FORMULA: C15H14NO4-
MOLECULAR WEIGHT: 272.27596
SMILES: C1CCC(CC1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-]
Structure:
CAS RN: 6043-60-3
CAS Name: 1-(4-acetylphenyl)-3-(4-morpholinyl)pyrrolidine-2,5-dione
OPENEYE Name: 1-(4-acetylphenyl)-3-morpholino-pyrrolidine-2,5-dione
IUPAC Name: 1-(4-acetylphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-(4-ethanoylphenyl)-3-morpholin-4-yl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C16H18N2O4
MOLECULAR WEIGHT: 302.32512
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCOCC3
Structure:
CAS RN: 50693-74-8
CAS Name: 1,3,7-trimethyl-8-(1-piperazin-4-iumyl)purine-2,6-dione
OPENEYE Name: 1,3,7-trimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione
IUPAC Name: 1,3,7-trimethyl-8-piperazin-4-ium-1-ylpurine-2,6-dione
SYSTEMATIC NAME: 1,3,7-trimethyl-8-piperazin-4-ium-1-yl-purine-2,6-dione
MOLECULAR FORMULA: C12H19N6O2+
MOLECULAR WEIGHT: 279.31826
SMILES: CN1C2=C(N=C1N3CC[NH2+]CC3)N(C(=O)N(C2=O)C)C
Structure:
CAS RN: 312594-50-6
CAS Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
OPENEYE Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoate
IUPAC Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
SYSTEMATIC NAME: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C12H11N2O3S-
MOLECULAR WEIGHT: 263.29234
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)CCC(=O)[O-]
Structure:
CAS RN: 519018-28-1
CAS Name: 4-bromo-1-ethyl-3-methylpyrazole
OPENEYE Name: 4-bromo-1-ethyl-3-methyl-pyrazole
IUPAC Name: 4-bromo-1-ethyl-3-methylpyrazole
SYSTEMATIC NAME: 4-bromanyl-1-ethyl-3-methyl-pyrazole
MOLECULAR FORMULA: C6H9BrN2
MOLECULAR WEIGHT: 189.05306
SMILES: CCN1C=C(C(=N1)C)Br
Structure:
CAS RN: 65709-19-5
CAS Name: 1-(2-ethylphenyl)-3-methylthiourea
OPENEYE Name: 1-(2-ethylphenyl)-3-methyl-thiourea
IUPAC Name: 1-(2-ethylphenyl)-3-methylthiourea
SYSTEMATIC NAME: 1-(2-ethylphenyl)-3-methyl-thiourea
MOLECULAR FORMULA: C10H14N2S
MOLECULAR WEIGHT: 194.29656
SMILES: CCC1=CC=CC=C1NC(=S)NC
Structure:
CAS RN: 20389-65-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H8Br2Cl6
MOLECULAR WEIGHT: 524.71792
SMILES: C1C2C3C(C1C(C2Br)Br)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 159448-56-3
CAS Name: 2-(5-methyl-2-furanyl)benzoic acid methyl ester
OPENEYE Name: methyl 2-(5-methyl-2-furyl)benzoate
IUPAC Name: methyl 2-(5-methylfuran-2-yl)benzoate
SYSTEMATIC NAME: methyl 2-(5-methylfuran-2-yl)benzoate
MOLECULAR FORMULA: C13H12O3
MOLECULAR WEIGHT: 216.23258
SMILES: CC1=CC=C(O1)C2=CC=CC=C2C(=O)OC
Structure:
CAS RN: 19718-49-1
CAS Name: 4-amino-3-iodobenzoic acid methyl ester
OPENEYE Name: methyl 4-amino-3-iodo-benzoate
IUPAC Name: methyl 4-amino-3-iodobenzoate
SYSTEMATIC NAME: methyl 4-azanyl-3-iodanyl-benzoate
MOLECULAR FORMULA: C8H8INO2
MOLECULAR WEIGHT: 277.05909
SMILES: COC(=O)C1=CC(=C(C=C1)N)I
Structure:
CAS RN: 39684-80-5
CAS Name: N-(2-bromoethyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-bromoethyl)carbamate
IUPAC Name: tert-butyl N-(2-bromoethyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(2-bromoethyl)carbamate
MOLECULAR FORMULA: C7H14BrNO2
MOLECULAR WEIGHT: 224.09556
SMILES: CC(C)(C)OC(=O)NCCBr
Structure:
CAS RN: 20331-45-7
CAS Name: N-[4-hydroxy-6-(hydroxymethyl)-2-[(3,4,5,6-tetrahydroxy-2-oxanyl)methoxy]-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-oxanyl]acetamide
OPENEYE Name: N-[4-hydroxy-6-(hydroxymethyl)-2-[(3,4,5,6-tetrahydroxytetrahydropyran-2-yl)methoxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[4-hydroxy-6-(hydroxymethyl)-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
SYSTEMATIC NAME: N-[6-(hydroxymethyl)-5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-[[3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methoxy]oxan-3-yl]ethanamide
MOLECULAR FORMULA: C20H35NO16
MOLECULAR WEIGHT: 545.489
SMILES: CC(=O)NC1C(C(C(OC1OCC2C(C(C(C(O2)O)O)O)O)CO)OC3C(C(C(C(O3)CO)O)O)O)O
Structure:
CAS RN: 25700-86-1
CAS Name: 8-(methylthio)-3,7-dihydropurine-2,6-dione
OPENEYE Name: 8-methylsulfanyl-3,7-dihydropurine-2,6-dione
IUPAC Name: 8-methylsulfanyl-3,7-dihydropurine-2,6-dione
SYSTEMATIC NAME: 8-methylsulfanyl-3,7-dihydropurine-2,6-dione
MOLECULAR FORMULA: C6H6N4O2S
MOLECULAR WEIGHT: 198.20244
SMILES: CSC1=NC2=C(N1)C(=O)NC(=O)N2
Structure:
CAS RN: 214623-57-1
CAS Name: 5-amino-2-methoxybenzonitrile
OPENEYE Name: 5-amino-2-methoxy-benzonitrile
IUPAC Name: 5-amino-2-methoxybenzonitrile
SYSTEMATIC NAME: 5-azanyl-2-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: COC1=C(C=C(C=C1)N)C#N
Structure:
CAS RN: 80789-65-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H7BrCl12
MOLECULAR WEIGHT: 752.60958
SMILES: C1=CC2=C(C=C1Br)C3C(C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 54557-81-2
CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
OPENEYE Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate
IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate
SYSTEMATIC NAME: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C12H11O5-
MOLECULAR WEIGHT: 235.21274
SMILES: C1COC2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-]
Structure:
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