CAS RN: 61624-15-5
CAS Name: 2-acetyloxy-2-phenylacetic acid ethyl ester
OPENEYE Name: ethyl 2-acetoxy-2-phenyl-acetate
IUPAC Name: ethyl 2-acetyloxy-2-phenylacetate
SYSTEMATIC NAME: ethyl 2-acetyloxy-2-phenyl-ethanoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CCOC(=O)C(C1=CC=CC=C1)OC(=O)C
Structure:
CAS RN: 13597-10-9
CAS Name: 4-phenoxybut-2-ynoxybenzene
OPENEYE Name: 4-phenoxybut-2-ynoxybenzene
IUPAC Name: 4-phenoxybut-2-ynoxybenzene
SYSTEMATIC NAME: 4-phenoxybut-2-ynoxybenzene
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: C1=CC=C(C=C1)OCC#CCOC2=CC=CC=C2
Structure:
CAS RN: 5877-11-2
CAS Name: (2-chloropropylthio)benzene
OPENEYE Name: 2-chloropropylsulfanylbenzene
IUPAC Name: 2-chloropropylsulfanylbenzene
SYSTEMATIC NAME: 2-chloranylpropylsulfanylbenzene
MOLECULAR FORMULA: C9H11ClS
MOLECULAR WEIGHT: 186.70164
SMILES: CC(CSC1=CC=CC=C1)Cl
Structure:
CAS RN: 28127-20-0
CAS Name: 2-(2-propan-2-ylidenehydrazinyl)ethanol
OPENEYE Name: 2-(2-isopropylidenehydrazino)ethanol
IUPAC Name: 2-(2-propan-2-ylidenehydrazinyl)ethanol
SYSTEMATIC NAME: 2-(2-propan-2-ylidenehydrazinyl)ethanol
MOLECULAR FORMULA: C5H12N2O
MOLECULAR WEIGHT: 116.16158
SMILES: CC(=NNCCO)C
Structure:
CAS RN: 53459-54-4
CAS Name: N-(2-chloroethyl)-6-oxo-4,8,9,9a-tetrahydro-3H-[1,2,4]dioxazino[4,3-c][1,3,2]oxazaphosphorin-6-amine
OPENEYE Name: N-(2-chloroethyl)-6-oxo-4,8,9,9a-tetrahydro-3H-[1,2,4]dioxazino[4,3-c][1,3,2]oxazaphosphinin-6-amine
IUPAC Name: N-(2-chloroethyl)-6-oxo-4,8,9,9a-tetrahydro-3H-[1,2,4]dioxazino[4,3-c][1,3,2]oxazaphosphinin-6-amine
SYSTEMATIC NAME: N-(2-chloroethyl)-6-oxidanylidene-4,8,9,9a-tetrahydro-3H-[1,2,4]dioxazino[4,3-c][1,3,2]oxazaphosphinin-6-amine
MOLECULAR FORMULA: C7H14ClN2O4P
MOLECULAR WEIGHT: 256.623821
SMILES: C1COP(=O)(N2C1OOCC2)NCCCl
Structure:
CAS RN: 59886-00-9
CAS Name: N-[4-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitro-6-(phenylmethylthio)-2-pyrimidinyl]acetamide
OPENEYE Name: N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitro-pyrimidin-2-yl]acetamide
IUPAC Name: N-[4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitropyrimidin-2-yl]acetamide
SYSTEMATIC NAME: N-[4-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-5-nitro-6-(phenylmethylsulfanyl)pyrimidin-2-yl]ethanamide
MOLECULAR FORMULA: C21H25N5O7S
MOLECULAR WEIGHT: 491.5175
SMILES: CC(=O)NC1=NC(=C(C(=N1)SCC2=CC=CC=C2)[N+](=O)[O-])NC3C4C(C(O3)CO)OC(O4)(C)C
Structure:
CAS RN: 60111-98-0
CAS Name: N-[5-amino-4-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-6-(phenylmethylthio)-2-pyrimidinyl]acetamide
OPENEYE Name: N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide
IUPAC Name: N-[5-amino-4-benzylsulfanyl-6-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]pyrimidin-2-yl]acetamide
SYSTEMATIC NAME: N-[5-azanyl-4-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-6-(phenylmethylsulfanyl)pyrimidin-2-yl]ethanamide
MOLECULAR FORMULA: C21H27N5O5S
MOLECULAR WEIGHT: 461.53458
SMILES: CC(=O)NC1=NC(=C(C(=N1)SCC2=CC=CC=C2)N)NC3C4C(C(O3)CO)OC(O4)(C)C
Structure:
CAS RN: 15753-89-6
CAS Name: ethenylsulfonylmethylbenzene
OPENEYE Name: vinylsulfonylmethylbenzene
IUPAC Name: ethenylsulfonylmethylbenzene
SYSTEMATIC NAME: ethenylsulfonylmethylbenzene
MOLECULAR FORMULA: C9H10O2S
MOLECULAR WEIGHT: 182.2395
SMILES: C=CS(=O)(=O)CC1=CC=CC=C1
Structure:
CAS RN: 94464-88-7
CAS Name: 2-[4-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]phenyl]ethene-1,1,2-tricarbonitrile
OPENEYE Name: 2-[4-[2-[[4-(dimethylamino)phenyl]methylene]hydrazino]phenyl]ethene-1,1,2-tricarbonitrile
IUPAC Name: 2-[4-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]phenyl]ethene-1,1,2-tricarbonitrile
SYSTEMATIC NAME: 2-[4-[2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]phenyl]ethene-1,1,2-tricarbonitrile
MOLECULAR FORMULA: C20H16N6
MOLECULAR WEIGHT: 340.38124
SMILES: CN(C)C1=CC=C(C=C1)C=NNC2=CC=C(C=C2)C(=C(C#N)C#N)C#N
Structure:
CAS RN: 52535-37-2
CAS Name: 3,4,4-trimethyl-1-(6-methyl-3-pyridinyl)-1-pentyn-3-ol
OPENEYE Name: 3,4,4-trimethyl-1-(6-methyl-3-pyridyl)pent-1-yn-3-ol
IUPAC Name: 3,4,4-trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol
SYSTEMATIC NAME: 3,4,4-trimethyl-1-(6-methylpyridin-3-yl)pent-1-yn-3-ol
MOLECULAR FORMULA: C14H19NO
MOLECULAR WEIGHT: 217.30676
SMILES: CC1=NC=C(C=C1)C#CC(C)(C(C)(C)C)O
Structure:
CAS RN: 89975-90-6
CAS Name: 1-(2-furanyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
OPENEYE Name: 1-(2-furyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
IUPAC Name: 1-(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
SYSTEMATIC NAME: 1-(furan-2-yl)-N-(1H-1,2,4-triazol-5-yl)methanimine
MOLECULAR FORMULA: C7H6N4O
MOLECULAR WEIGHT: 162.14874
SMILES: C1=COC(=C1)C=NC2=NC=NN2
Structure:
CAS RN: 32353-12-1
CAS Name: N-phenylcarbamic acid 2-bromoethyl ester
OPENEYE Name: 2-bromoethyl N-phenylcarbamate
IUPAC Name: 2-bromoethyl N-phenylcarbamate
SYSTEMATIC NAME: 2-bromoethyl N-phenylcarbamate
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C1=CC=C(C=C1)NC(=O)OCCBr
Structure:
CAS RN: 89990-52-3
CAS Name: N-[2-(methanesulfonamido)ethyl]methanesulfonamide
OPENEYE Name: N-[2-(methanesulfonamido)ethyl]methanesulfonamide
IUPAC Name: N-[2-(methanesulfonamido)ethyl]methanesulfonamide
SYSTEMATIC NAME: N-[2-(methylsulfonylamino)ethyl]methanesulfonamide
MOLECULAR FORMULA: C4H12N2O4S2
MOLECULAR WEIGHT: 216.27908
SMILES: CS(=O)(=O)NCCNS(=O)(=O)C
Structure:
CAS RN: 82410-72-8
CAS Name: N,N-diethyl-2-(2-methyl-1-imidazolyl)ethanamine
OPENEYE Name: N,N-diethyl-2-(2-methylimidazol-1-yl)ethanamine
IUPAC Name: N,N-diethyl-2-(2-methylimidazol-1-yl)ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-(2-methylimidazol-1-yl)ethanamine
MOLECULAR FORMULA: C10H19N3
MOLECULAR WEIGHT: 181.27796
SMILES: CCN(CC)CCN1C=CN=C1C
Structure:
CAS RN: 28036-91-1
CAS Name: 3,4-dichlorobenzohydrazide
OPENEYE Name: 3,4-dichlorobenzohydrazide
IUPAC Name: 3,4-dichlorobenzohydrazide
SYSTEMATIC NAME: 3,4-bis(chloranyl)benzohydrazide
MOLECULAR FORMULA: C7H6Cl2N2O
MOLECULAR WEIGHT: 205.04134
SMILES: C1=CC(=C(C=C1C(=O)NN)Cl)Cl
Structure:
CAS RN: 58976-90-2
CAS Name: acetic acid (12-acetyloxy-6,11-dioxo-1,4-dihydrotetracen-5-yl) ester
OPENEYE Name: (12-acetoxy-6,11-dioxo-1,4-dihydrotetracen-5-yl) acetate
IUPAC Name: (12-acetyloxy-6,11-dioxo-1,4-dihydrotetracen-5-yl) acetate
SYSTEMATIC NAME: [12-acetyloxy-6,11-bis(oxidanylidene)-1,4-dihydrotetracen-5-yl] ethanoate
MOLECULAR FORMULA: C22H16O6
MOLECULAR WEIGHT: 376.35884
SMILES: CC(=O)OC1=C2CC=CCC2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)OC(=O)C
Structure:
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