CAS RN: 435341-88-1
CAS Name: 2-methyl-5-(2-methylpropyl)-4-(1-pyrrolidin-1-iumylmethyl)-3-furancarboxylate
OPENEYE Name: 5-isobutyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate
IUPAC Name: 2-methyl-5-(2-methylpropyl)-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate
SYSTEMATIC NAME: 2-methyl-5-(2-methylpropyl)-4-(pyrrolidin-1-ium-1-ylmethyl)furan-3-carboxylate
MOLECULAR FORMULA: C15H23NO3
MOLECULAR WEIGHT: 265.34802
SMILES: CC1=C(C(=C(O1)CC(C)C)C[NH+]2CCCC2)C(=O)[O-]
Structure:
CAS RN: 435341-87-0
CAS Name: 2-methyl-5-(2-methylpropyl)-4-(4-morpholin-4-iumylmethyl)-3-furancarboxylate
OPENEYE Name: 5-isobutyl-2-methyl-4-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
IUPAC Name: 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
SYSTEMATIC NAME: 2-methyl-5-(2-methylpropyl)-4-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylate
MOLECULAR FORMULA: C15H23NO4
MOLECULAR WEIGHT: 281.34742
SMILES: CC1=C(C(=C(O1)CC(C)C)C[NH+]2CCOCC2)C(=O)[O-]
Structure:
CAS RN: 90563-40-9
CAS Name: 1-methyl-3-[2-(7H-purin-6-ylthio)ethyl]urea
OPENEYE Name: 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
IUPAC Name: 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
SYSTEMATIC NAME: 1-methyl-3-[2-(7H-purin-6-ylsulfanyl)ethyl]urea
MOLECULAR FORMULA: C9H12N6OS
MOLECULAR WEIGHT: 252.29618
SMILES: CNC(=O)NCCSC1=NC=NC2=C1NC=N2
Structure:
CAS RN: 825-90-1
CAS Name: sodium 4-hydroxybenzenesulfonate
OPENEYE Name: sodium 4-hydroxybenzenesulfonate
IUPAC Name: sodium 4-hydroxybenzenesulfonate
SYSTEMATIC NAME: sodium 4-oxidanylbenzenesulfonate
MOLECULAR FORMULA: C6H5NaO4S
MOLECULAR WEIGHT: 196.15627
SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 790240-50-5
CAS Name: sodium 4-hydroxybenzenesulfonate
OPENEYE Name: sodium 4-hydroxybenzenesulfonate
IUPAC Name: sodium 4-hydroxybenzenesulfonate
SYSTEMATIC NAME: sodium 4-oxidanylbenzenesulfonate
MOLECULAR FORMULA: C6H5NaO4S
MOLECULAR WEIGHT: 196.15627
SMILES: C1=CC(=CC=C1O)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 19690-20-1
CAS Name: 8-iodo-3,7-dihydropurin-6-one
OPENEYE Name: 8-iodo-3,7-dihydropurin-6-one
IUPAC Name: 8-iodo-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 8-iodanyl-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C5H3IN4O
MOLECULAR WEIGHT: 262.00799
SMILES: C1=NC(=O)C2=C(N1)N=C(N2)I
Structure:
CAS RN: 69807-82-5
CAS Name: 3-(1,2,4-triazol-1-yl)-1-propanamine
OPENEYE Name: 3-(1,2,4-triazol-1-yl)propan-1-amine
IUPAC Name: 3-(1,2,4-triazol-1-yl)propan-1-amine
SYSTEMATIC NAME: 3-(1,2,4-triazol-1-yl)propan-1-amine
MOLECULAR FORMULA: C5H10N4
MOLECULAR WEIGHT: 126.1597
SMILES: C1=NN(C=N1)CCCN
Structure:
CAS RN: 60663-70-9
CAS Name: 6-amino-1-(2-methoxyethyl)-2,4-dioxo-N-phenyl-5-pyrimidinecarbothioamide
OPENEYE Name: 6-amino-1-(2-methoxyethyl)-2,4-dioxo-N-phenyl-pyrimidine-5-carbothioamide
IUPAC Name: 6-amino-1-(2-methoxyethyl)-2,4-dioxo-N-phenylpyrimidine-5-carbothioamide
SYSTEMATIC NAME: 6-azanyl-1-(2-methoxyethyl)-2,4-bis(oxidanylidene)-N-phenyl-pyrimidine-5-carbothioamide
MOLECULAR FORMULA: C14H16N4O3S
MOLECULAR WEIGHT: 320.36684
SMILES: COCCN1C(=C(C(=O)NC1=O)C(=S)NC2=CC=CC=C2)N
Structure:
CAS RN: 52493-37-5
CAS Name: 2-cyano-N-hexylacetamide
OPENEYE Name: 2-cyano-N-hexyl-acetamide
IUPAC Name: 2-cyano-N-hexylacetamide
SYSTEMATIC NAME: 2-cyano-N-hexyl-ethanamide
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: CCCCCCNC(=O)CC#N
Structure:
CAS RN: 67319-76-0
CAS Name: 4-(1-imidazolyl)-1-butanamine
OPENEYE Name: 4-imidazol-1-ylbutan-1-amine
IUPAC Name: 4-imidazol-1-ylbutan-1-amine
SYSTEMATIC NAME: 4-imidazol-1-ylbutan-1-amine
MOLECULAR FORMULA: C7H13N3
MOLECULAR WEIGHT: 139.19822
SMILES: C1=CN(C=N1)CCCCN
Structure:
CAS RN: 6948-14-7
CAS Name: 1-(4-acridinyl)-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
OPENEYE Name: 1-acridin-4-yl-3-[(2,4-dichlorophenyl)methyleneamino]thiourea
IUPAC Name: 1-acridin-4-yl-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-acridin-4-yl-3-[(2,4-dichlorophenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C21H14Cl2N4S
MOLECULAR WEIGHT: 425.33366
SMILES: C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)NC(=S)NN=CC4=C(C=C(C=C4)Cl)Cl
Structure:
CAS RN: 115389-04-3
CAS Name: 2-[[2-[[2-[[2-[[2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-3-(4-nitrophenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]amino]-4-methylpentanoic acid pyridin-4-ylmethyl ester
OPENEYE Name: 4-pyridylmethyl 2-[[2-[[2-[[2-[2-[2-[(2-amino-3-phenyl-propanoyl)amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoate
IUPAC Name: pyridin-4-ylmethyl 2-[[2-[[2-[[2-[2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate
SYSTEMATIC NAME: pyridin-4-ylmethyl 2-[[2-[[2-[[2-[2-[2-[(2-azanyl-3-phenyl-propanoyl)amino]propanoylamino]propanoylamino]-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoate
MOLECULAR FORMULA: C50H63N9O10
MOLECULAR WEIGHT: 950.08952
SMILES: CC(C)CC(C(=O)OCC1=CC=NC=C1)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)N
Structure:
CAS RN: 5188-07-8
CAS Name: sodium methanethiolate
OPENEYE Name: sodium methanethiolate
IUPAC Name: sodium methanethiolate
SYSTEMATIC NAME: sodium methanethiolate
MOLECULAR FORMULA: CH3NaS
MOLECULAR WEIGHT: 70.08929
SMILES: C[S-].[Na+]
Structure:
CAS RN: 672-48-0
CAS Name: 4-mercapto-2-(trifluoromethyl)-1H-pyrimidine-6-thione
OPENEYE Name: 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione
IUPAC Name: 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione
SYSTEMATIC NAME: 4-sulfanyl-2-(trifluoromethyl)-1H-pyrimidine-6-thione
MOLECULAR FORMULA: C5H3F3N2S2
MOLECULAR WEIGHT: 212.21593
SMILES: C1=C(N=C(NC1=S)C(F)(F)F)S
Structure:
CAS RN: 79797-42-5
CAS Name: 1-[[2-[1,2-bis(4-methoxyphenyl)butylamino]-1-oxoethyl]amino]-3-butylthiourea
OPENEYE Name: 1-[[2-[1,2-bis(4-methoxyphenyl)butylamino]acetyl]amino]-3-butyl-thiourea
IUPAC Name: 1-[[2-[1,2-bis(4-methoxyphenyl)butylamino]acetyl]amino]-3-butylthiourea
SYSTEMATIC NAME: 1-[2-[1,2-bis(4-methoxyphenyl)butylamino]ethanoylamino]-3-butyl-thiourea
MOLECULAR FORMULA: C25H36N4O3S
MOLECULAR WEIGHT: 472.64334
SMILES: CCCCNC(=S)NNC(=O)CNC(C1=CC=C(C=C1)OC)C(CC)C2=CC=C(C=C2)OC
Structure:
CAS RN: 31255-17-1
CAS Name: 1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane
OPENEYE Name: 1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane
IUPAC Name: 1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane
SYSTEMATIC NAME: 1,4,7,13,16,19-hexaoxa-10,22-diazacyclotetracosane
MOLECULAR FORMULA: C16H34N2O6
MOLECULAR WEIGHT: 350.45096
SMILES: C1COCCOCCOCCNCCOCCOCCOCCN1
Structure:
CAS RN: 64606-10-6
CAS Name: 5-(4-aminophenyl)-3-nitro-1H-pyridin-2-one
OPENEYE Name: 5-(4-aminophenyl)-3-nitro-1H-pyridin-2-one
IUPAC Name: 5-(4-aminophenyl)-3-nitro-1H-pyridin-2-one
SYSTEMATIC NAME: 5-(4-aminophenyl)-3-nitro-1H-pyridin-2-one
MOLECULAR FORMULA: C11H9N3O3
MOLECULAR WEIGHT: 231.20746
SMILES: C1=CC(=CC=C1C2=CNC(=O)C(=C2)[N+](=O)[O-])N
Structure:
CAS RN: 1193-27-7
CAS Name: 2-amino-1H-pyrimidine-6-thione
OPENEYE Name: 2-amino-1H-pyrimidine-6-thione
IUPAC Name: 2-amino-1H-pyrimidine-6-thione
SYSTEMATIC NAME: 2-azanyl-1H-pyrimidine-6-thione
MOLECULAR FORMULA: C4H5N3S
MOLECULAR WEIGHT: 127.1676
SMILES: C1=CN=C(NC1=S)N
Structure:
CAS RN: 13479-54-4
CAS Name: 2-aminoacetic acid; copper
OPENEYE Name: 2-aminoacetic acid; copper
IUPAC Name: 2-aminoacetic acid; copper
SYSTEMATIC NAME: 2-azanylethanoic acid; copper
MOLECULAR FORMULA: C4H10CuN2O4
MOLECULAR WEIGHT: 213.6792
SMILES: C(C(=O)O)N.C(C(=O)O)N.[Cu]
Structure:
CAS RN: 7170-38-9
CAS Name: 3-phenoxypropanoate
OPENEYE Name: 3-phenoxypropanoate
IUPAC Name: 3-phenoxypropanoate
SYSTEMATIC NAME: 3-phenoxypropanoate
MOLECULAR FORMULA: C9H9O3-
MOLECULAR WEIGHT: 165.16596
SMILES: C1=CC=C(C=C1)OCCC(=O)[O-]
Structure:
CAS RN: 3251-30-7
CAS Name: 2-(2-ethoxyphenoxy)acetate
OPENEYE Name: 2-(2-ethoxyphenoxy)acetate
IUPAC Name: 2-(2-ethoxyphenoxy)acetate
SYSTEMATIC NAME: 2-(2-ethoxyphenoxy)ethanoate
MOLECULAR FORMULA: C10H11O4-
MOLECULAR WEIGHT: 195.19194
SMILES: CCOC1=CC=CC=C1OCC(=O)[O-]
Structure:
CAS RN: 3877-40-5
CAS Name: benzoic acid [5-azido-2-methoxy-4-(4-methylphenyl)sulfonyloxy-3-oxanyl] ester
OPENEYE Name: [5-azido-2-methoxy-4-(p-tolylsulfonyloxy)tetrahydropyran-3-yl] benzoate
IUPAC Name: [5-azido-2-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate
SYSTEMATIC NAME: [5-azido-2-methoxy-4-(4-methylphenyl)sulfonyloxy-oxan-3-yl] benzoate
MOLECULAR FORMULA: C20H21N3O7S
MOLECULAR WEIGHT: 447.46164
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C(COC(C2OC(=O)C3=CC=CC=C3)OC)N=[N+]=[N-]
Structure:
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