CAS RN: 92460-80-5
CAS Name: 1-(6-phenanthridinylmethylideneamino)-3-phenylthiourea
OPENEYE Name: 1-(phenanthridin-6-ylmethyleneamino)-3-phenyl-thiourea
IUPAC Name: 1-(phenanthridin-6-ylmethylideneamino)-3-phenylthiourea
SYSTEMATIC NAME: 1-(phenanthridin-6-ylmethylideneamino)-3-phenyl-thiourea
MOLECULAR FORMULA: C21H16N4S
MOLECULAR WEIGHT: 356.44354
SMILES: C1=CC=C(C=C1)NC(=S)NN=CC2=NC3=CC=CC=C3C4=CC=CC=C42
Structure:
CAS RN: 31430-37-2
CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]benzamide
OPENEYE Name: N-[(5-bromo-2-pyridyl)carbamothioyl]benzamide
IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(5-bromanylpyridin-2-yl)carbamothioyl]benzamide
MOLECULAR FORMULA: C13H10BrN3OS
MOLECULAR WEIGHT: 336.207
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br
Structure:
CAS RN: 27491-70-9
CAS Name: diazo(dimethoxyphosphoryl)methane
OPENEYE Name: diazo(dimethoxyphosphoryl)methane
IUPAC Name: diazo(dimethoxyphosphoryl)methane
SYSTEMATIC NAME: diazo(dimethoxyphosphoryl)methane
MOLECULAR FORMULA: C3H7N2O3P
MOLECULAR WEIGHT: 150.073041
SMILES: COP(=O)(C=[N+]=[N-])OC
Structure:
CAS RN: 74607-19-5
CAS Name: 5-butyl-5-(1-methylethenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
OPENEYE Name: 5-butyl-5-isopropenyl-2-thioxo-hexahydropyrimidine-4,6-dione
IUPAC Name: 5-butyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
SYSTEMATIC NAME: 5-butyl-5-prop-1-en-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
MOLECULAR FORMULA: C11H16N2O2S
MOLECULAR WEIGHT: 240.32194
SMILES: CCCCC1(C(=O)NC(=S)NC1=O)C(=C)C
Structure:
CAS RN: 59225-09-1
CAS Name: 4-(methoxymethyl)-6-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-amine
OPENEYE Name: 4-(methoxymethyl)-6-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-amine
IUPAC Name: 4-(methoxymethyl)-6-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-amine
SYSTEMATIC NAME: 4-(methoxymethyl)-6-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-amine
MOLECULAR FORMULA: C9H11N5O3
MOLECULAR WEIGHT: 237.21534
SMILES: CC1=NC2=NNC(=C2C(=C1[N+](=O)[O-])COC)N
Structure:
CAS RN: 29419-15-6
CAS Name: 7-fluoro-3,4-dihydro-1H-naphthalen-2-one
OPENEYE Name: 7-fluorotetralin-2-one
IUPAC Name: 7-fluoro-3,4-dihydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 7-fluoranyl-3,4-dihydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C10H9FO
MOLECULAR WEIGHT: 164.176263
SMILES: C1CC2=C(CC1=O)C=C(C=C2)F
Structure:
CAS RN: 76650-29-8
CAS Name: 1-[4-(3-methylphenyl)phenyl]ethanone
OPENEYE Name: 1-[4-(m-tolyl)phenyl]ethanone
IUPAC Name: 1-[4-(3-methylphenyl)phenyl]ethanone
SYSTEMATIC NAME: 1-[4-(3-methylphenyl)phenyl]ethanone
MOLECULAR FORMULA: C15H14O
MOLECULAR WEIGHT: 210.27106
SMILES: CC1=CC=CC(=C1)C2=CC=C(C=C2)C(=O)C
Structure:
CAS RN: 28128-32-7
CAS Name: 8-methoxy-7H-purin-6-amine
OPENEYE Name: 8-methoxy-7H-purin-6-amine
IUPAC Name: 8-methoxy-7H-purin-6-amine
SYSTEMATIC NAME: 8-methoxy-7H-purin-6-amine
MOLECULAR FORMULA: C6H7N5O
MOLECULAR WEIGHT: 165.15268
SMILES: COC1=NC2=C(N1)C(=NC=N2)N
Structure:
CAS RN: 99-56-9
CAS Name: 4-nitrobenzene-1,2-diamine
OPENEYE Name: 4-nitrobenzene-1,2-diamine
IUPAC Name: 4-nitrobenzene-1,2-diamine
SYSTEMATIC NAME: 4-nitrobenzene-1,2-diamine
MOLECULAR FORMULA: C6H7N3O2
MOLECULAR WEIGHT: 153.13868
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)N
Structure:
CAS RN: 20757-66-8
CAS Name: acetic acid [2,2-dimethyl-4-(3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester
OPENEYE Name: [2,2-dimethyl-4-(3-oxo-5-thioxo-1,2,4-triazin-2-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
IUPAC Name: [2,2-dimethyl-4-(3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate
SYSTEMATIC NAME: [2,2-dimethyl-4-(3-oxidanylidene-5-sulfanylidene-1,2,4-triazin-2-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ethanoate
MOLECULAR FORMULA: C13H17N3O6S
MOLECULAR WEIGHT: 343.35558
SMILES: CC(=O)OCC1C2C(C(O1)N3C(=O)NC(=S)C=N3)OC(O2)(C)C
Structure:
CAS RN: 28293-55-2
CAS Name: 2-diazonio-1-(4-nitrophenoxy)ethenolate
OPENEYE Name: 2-diazonio-1-(4-nitrophenoxy)ethenolate
IUPAC Name: 2-diazonio-1-(4-nitrophenoxy)ethenolate
SYSTEMATIC NAME: 2-diazonio-1-(4-nitrophenoxy)ethenolate
MOLECULAR FORMULA: C8H5N3O4
MOLECULAR WEIGHT: 207.143
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC(=C[N+]#N)[O-]
Structure:
CAS RN: 1421-27-8
CAS Name: 1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
OPENEYE Name: 1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
IUPAC Name: 1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
SYSTEMATIC NAME: 1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
MOLECULAR FORMULA: C6H5N3S
MOLECULAR WEIGHT: 151.189
SMILES: C1=CNC2=C1C(=S)N=CN2
Structure:
CAS RN: 72453-05-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H22N2O
MOLECULAR WEIGHT: 402.48708
SMILES: CC1=C(C2(C(C1=O)(C3=[N+]([N-]2)C4=CC=CC=C4C=C3)C)C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 5393-63-5
CAS Name: 1-(2-hydroxyphenyl)-3-(2-methylphenyl)thiourea
OPENEYE Name: 1-(2-hydroxyphenyl)-3-(o-tolyl)thiourea
IUPAC Name: 1-(2-hydroxyphenyl)-3-(2-methylphenyl)thiourea
SYSTEMATIC NAME: 1-(2-hydroxyphenyl)-3-(2-methylphenyl)thiourea
MOLECULAR FORMULA: C14H14N2OS
MOLECULAR WEIGHT: 258.33876
SMILES: CC1=CC=CC=C1NC(=S)NC2=CC=CC=C2O
Structure:
CAS RN: 72082-36-1
CAS Name: N-[[(1-methyl-4-nitro-3-pyrrolyl)amino]-sulfanylidenemethyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[(1-methyl-4-nitro-pyrrol-3-yl)carbamothioyl]carbamate
IUPAC Name: ethyl N-[(1-methyl-4-nitropyrrol-3-yl)carbamothioyl]carbamate
SYSTEMATIC NAME: ethyl N-[(1-methyl-4-nitro-pyrrol-3-yl)carbamothioyl]carbamate
MOLECULAR FORMULA: C9H12N4O4S
MOLECULAR WEIGHT: 272.28098
SMILES: CCOC(=O)NC(=S)NC1=CN(C=C1[N+](=O)[O-])C
Structure:
CAS RN: 4013-71-2
CAS Name: azido(2-pyridinyl)methanone
OPENEYE Name: pyridine-2-carbonyl azide
IUPAC Name: pyridine-2-carbonyl azide
SYSTEMATIC NAME: azido(pyridin-2-yl)methanone
MOLECULAR FORMULA: C6H4N4O
MOLECULAR WEIGHT: 148.12216
SMILES: C1=CC=NC(=C1)C(=O)N=[N+]=[N-]
Structure:
CAS RN: 40426-22-0
CAS Name: 9-hexadecenoyl chloride
OPENEYE Name: hexadec-9-enoyl chloride
IUPAC Name: hexadec-9-enoyl chloride
SYSTEMATIC NAME: hexadec-9-enoyl chloride
MOLECULAR FORMULA: C16H29ClO
MOLECULAR WEIGHT: 272.85386
SMILES: CCCCCCC=CCCCCCCCC(=O)Cl
Structure:
CAS RN: 42239-01-0
CAS Name: 1-(2-ethoxy-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate
OPENEYE Name: 1-(2-ethoxy-2-oxo-ethyl)-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate
IUPAC Name: 1-(2-ethoxy-2-oxoethyl)-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate
SYSTEMATIC NAME: 1-(2-ethoxy-2-oxidanylidene-ethyl)-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-olate
MOLECULAR FORMULA: C10H11N3O3
MOLECULAR WEIGHT: 221.21264
SMILES: CCOC(=O)CN1C2=CC=CC=[N+]2C(=N1)[O-]
Structure:
CAS RN: 155497-10-2
CAS Name: N-[[1-(phenylmethyl)-3-pyrrolidinyl]methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(1-benzylpyrrolidin-3-yl)methyl]carbamate
IUPAC Name: tert-butyl N-[(1-benzylpyrrolidin-3-yl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[1-(phenylmethyl)pyrrolidin-3-yl]methyl]carbamate
MOLECULAR FORMULA: C17H26N2O2
MOLECULAR WEIGHT: 290.40054
SMILES: CC(C)(C)OC(=O)NCC1CCN(C1)CC2=CC=CC=C2
Structure:
CAS RN: 20914-56-1
CAS Name: 9-amino-3H-purine-6-thione
OPENEYE Name: 9-amino-3H-purine-6-thione
IUPAC Name: 9-amino-3H-purine-6-thione
SYSTEMATIC NAME: 9-azanyl-3H-purine-6-thione
MOLECULAR FORMULA: C5H5N5S
MOLECULAR WEIGHT: 167.1917
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)N
Structure:
CAS RN: 151259-38-0
CAS Name: N,N-bis(prop-2-enyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N,N-diallylcarbamate
IUPAC Name: tert-butyl N,N-bis(prop-2-enyl)carbamate
SYSTEMATIC NAME: tert-butyl N,N-bis(prop-2-enyl)carbamate
MOLECULAR FORMULA: C11H19NO2
MOLECULAR WEIGHT: 197.27406
SMILES: CC(C)(C)OC(=O)N(CC=C)CC=C
Structure:
CAS RN: 69063-03-2
CAS Name: 4-azido-7-chloroquinoline
OPENEYE Name: 4-azido-7-chloro-quinoline
IUPAC Name: 4-azido-7-chloroquinoline
SYSTEMATIC NAME: 4-azido-7-chloranyl-quinoline
MOLECULAR FORMULA: C9H5ClN4
MOLECULAR WEIGHT: 204.6158
SMILES: C1=CC2=C(C=CN=C2C=C1Cl)N=[N+]=[N-]
Structure:
CAS RN: 16473-35-1
CAS Name: [4-(chloromethyl)phenyl]methanol
OPENEYE Name: [4-(chloromethyl)phenyl]methanol
IUPAC Name: [4-(chloromethyl)phenyl]methanol
SYSTEMATIC NAME: [4-(chloromethyl)phenyl]methanol
MOLECULAR FORMULA: C8H9ClO
MOLECULAR WEIGHT: 156.60946
SMILES: C1=CC(=CC=C1CO)CCl
Structure:
CAS RN: 13472-33-8
CAS Name: sodium oxido(trioxo)rhenium
OPENEYE Name: sodium oxido(trioxo)rhenium
IUPAC Name: sodium oxido(trioxo)rhenium
SYSTEMATIC NAME: sodium oxidanidyl-tris(oxidanylidene)rhenium
MOLECULAR FORMULA: NaO4Re
MOLECULAR WEIGHT: 273.19437
SMILES: [O-][Re](=O)(=O)=O.[Na+]
Structure:
CAS RN: 73511-63-4
CAS Name: 3-[(5,7-diiodo-8-quinolinyl)oxymethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-[(5,7-diiodo-8-quinolyl)oxymethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[(5,7-diiodoquinolin-8-yl)oxymethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[[5,7-bis(iodanyl)quinolin-8-yl]oxymethyl]-4-ethyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H12I2N4OS
MOLECULAR WEIGHT: 538.14522
SMILES: CCN1C(=NNC1=S)COC2=C(C=C(C3=C2N=CC=C3)I)I
Structure:
CAS RN: 66270-36-8
CAS Name: carbonochloridic acid (1,1,1-trichloro-2-methylpropan-2-yl) ester
OPENEYE Name: (2,2,2-trichloro-1,1-dimethyl-ethyl) carbonochloridate
IUPAC Name: (1,1,1-trichloro-2-methylpropan-2-yl) carbonochloridate
SYSTEMATIC NAME: [1,1,1-tris(chloranyl)-2-methyl-propan-2-yl] carbonochloridate
MOLECULAR FORMULA: C5H6Cl4O2
MOLECULAR WEIGHT: 239.91194
SMILES: CC(C)(C(Cl)(Cl)Cl)OC(=O)Cl
Structure:
CAS RN: 23936-11-0
CAS Name: 3-methyl-2-piperazinone
OPENEYE Name: 3-methylpiperazin-2-one
IUPAC Name: 3-methylpiperazin-2-one
SYSTEMATIC NAME: 3-methylpiperazin-2-one
MOLECULAR FORMULA: C5H10N2O
MOLECULAR WEIGHT: 114.1457
SMILES: CC1C(=O)NCCN1
Structure:
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