CAS RN: 1129-66-4
CAS Name: 5-cyclohexyl-1-pentanol
OPENEYE Name: 5-cyclohexylpentan-1-ol
IUPAC Name: 5-cyclohexylpentan-1-ol
SYSTEMATIC NAME: 5-cyclohexylpentan-1-ol
MOLECULAR FORMULA: C11H22O
MOLECULAR WEIGHT: 170.29178
SMILES: C1CCC(CC1)CCCCCO
Structure:
CAS RN: 34623-61-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC(=O)OC1CC2CC1C3C2C4CC3C=C4
Structure:
CAS RN: 13491-47-9
CAS Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]acetamide
OPENEYE Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]acetamide
IUPAC Name: N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
SYSTEMATIC NAME: N-[1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]ethanamide
MOLECULAR FORMULA: C11H15N3O6
MOLECULAR WEIGHT: 285.2533
SMILES: CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 25795-97-5
CAS Name: methanesulfonic acid 2-pyridinyl ester
OPENEYE Name: 2-pyridyl methanesulfonate
IUPAC Name: pyridin-2-yl methanesulfonate
SYSTEMATIC NAME: pyridin-2-yl methanesulfonate
MOLECULAR FORMULA: C6H7NO3S
MOLECULAR WEIGHT: 173.18968
SMILES: CS(=O)(=O)OC1=CC=CC=N1
Structure:
CAS RN: 4747-01-7
CAS Name: 1,1,2,2-tetramethylspiro[2.4]hepta-4,6-diene
OPENEYE Name: 1,1,2,2-tetramethylspiro[2.4]hepta-4,6-diene
IUPAC Name: 1,1,2,2-tetramethylspiro[2.4]hepta-4,6-diene
SYSTEMATIC NAME: 1,1,2,2-tetramethylspiro[2.4]hepta-4,6-diene
MOLECULAR FORMULA: C11H16
MOLECULAR WEIGHT: 148.24474
SMILES: CC1(C(C12C=CC=C2)(C)C)C
Structure:
CAS RN: 4936-02-1
CAS Name: (1-bromo-2,2-dimethylcyclopropyl)benzene
OPENEYE Name: (1-bromo-2,2-dimethyl-cyclopropyl)benzene
IUPAC Name: (1-bromo-2,2-dimethylcyclopropyl)benzene
SYSTEMATIC NAME: (1-bromanyl-2,2-dimethyl-cyclopropyl)benzene
MOLECULAR FORMULA: C11H13Br
MOLECULAR WEIGHT: 225.12492
SMILES: CC1(CC1(C2=CC=CC=C2)Br)C
Structure:
CAS RN: 4937-04-6
CAS Name: (1-bromo-2,3-dimethylcyclopropyl)benzene
OPENEYE Name: (1-bromo-2,3-dimethyl-cyclopropyl)benzene
IUPAC Name: (1-bromo-2,3-dimethylcyclopropyl)benzene
SYSTEMATIC NAME: (1-bromanyl-2,3-dimethyl-cyclopropyl)benzene
MOLECULAR FORMULA: C11H13Br
MOLECULAR WEIGHT: 225.12492
SMILES: CC1C(C1(C2=CC=CC=C2)Br)C
Structure:
CAS RN: 6558-73-2
CAS Name: N-cyclopropylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-cyclopropylcarbamate
IUPAC Name: ethyl N-cyclopropylcarbamate
SYSTEMATIC NAME: ethyl N-cyclopropylcarbamate
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CCOC(=O)NC1CC1
Structure:
CAS RN: 72742-89-3
CAS Name: 3-oxo-3-phenyl-N-(3-pyridinyl)propanamide
OPENEYE Name: 3-oxo-3-phenyl-N-(3-pyridyl)propanamide
IUPAC Name: 3-oxo-3-phenyl-N-pyridin-3-ylpropanamide
SYSTEMATIC NAME: 3-oxidanylidene-3-phenyl-N-pyridin-3-yl-propanamide
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)NC2=CN=CC=C2
Structure:
CAS RN: 5192-59-6
CAS Name: 3-oxo-3-phenyl-N-(3-pyridinyl)propanamide
OPENEYE Name: 3-oxo-3-phenyl-N-(3-pyridyl)propanamide
IUPAC Name: 3-oxo-3-phenyl-N-pyridin-3-ylpropanamide
SYSTEMATIC NAME: 3-oxidanylidene-3-phenyl-N-pyridin-3-yl-propanamide
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)NC2=CN=CC=C2
Structure:
CAS RN: 442532-99-2
CAS Name: (1-methylsulfonyl-2-benzimidazolyl)methanol
OPENEYE Name: (1-methylsulfonylbenzimidazol-2-yl)methanol
IUPAC Name: (1-methylsulfonylbenzimidazol-2-yl)methanol
SYSTEMATIC NAME: (1-methylsulfonylbenzimidazol-2-yl)methanol
MOLECULAR FORMULA: C9H10N2O3S
MOLECULAR WEIGHT: 226.2523
SMILES: CS(=O)(=O)N1C2=CC=CC=C2N=C1CO
Structure:
CAS RN: 17132-92-2
CAS Name: 1,4-dimethyldibenzofuran
OPENEYE Name: 1,4-dimethyldibenzofuran
IUPAC Name: 1,4-dimethyldibenzofuran
SYSTEMATIC NAME: 1,4-dimethyldibenzofuran
MOLECULAR FORMULA: C14H12O
MOLECULAR WEIGHT: 196.24448
SMILES: CC1=C2C3=CC=CC=C3OC2=C(C=C1)C
Structure:
CAS RN: 151215-11-1
CAS Name: benzoic acid [5-acetyloxy-2-(acetyloxymethyl)-4-benzoyloxy-3-thiolanyl] ester
OPENEYE Name: [5-acetoxy-2-(acetoxymethyl)-4-benzoyloxy-tetrahydrothiophen-3-yl] benzoate
IUPAC Name: [5-acetyloxy-2-(acetyloxymethyl)-4-benzoyloxythiolan-3-yl] benzoate
SYSTEMATIC NAME: [5-acetyloxy-2-(acetyloxymethyl)-4-(phenylcarbonyloxy)thiolan-3-yl] benzoate
MOLECULAR FORMULA: C23H22O8S
MOLECULAR WEIGHT: 458.48098
SMILES: CC(=O)OCC1C(C(C(S1)OC(=O)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 18977-92-9
CAS Name: 4-amino-6-methoxy-2-methyl-3-oxanol
OPENEYE Name: 4-amino-6-methoxy-2-methyl-tetrahydropyran-3-ol
IUPAC Name: 4-amino-6-methoxy-2-methyloxan-3-ol
SYSTEMATIC NAME: 4-azanyl-6-methoxy-2-methyl-oxan-3-ol
MOLECULAR FORMULA: C7H15NO3
MOLECULAR WEIGHT: 161.1989
SMILES: CC1C(C(CC(O1)OC)N)O
Structure:
CAS RN: 54623-23-3
CAS Name: 4-amino-6-methoxy-2-methyl-3-oxanol
OPENEYE Name: 4-amino-6-methoxy-2-methyl-tetrahydropyran-3-ol
IUPAC Name: 4-amino-6-methoxy-2-methyloxan-3-ol
SYSTEMATIC NAME: 4-azanyl-6-methoxy-2-methyl-oxan-3-ol
MOLECULAR FORMULA: C7H15NO3
MOLECULAR WEIGHT: 161.1989
SMILES: CC1C(C(CC(O1)OC)N)O
Structure:
CAS RN: 41287-63-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H39NO5
MOLECULAR WEIGHT: 445.59156
SMILES: CC(C1CCC2C1(CN(C3=C2CCC4C3(CCC(C4)OC(=O)C)C)C(=O)C)C)OC(=O)C
Structure:
CAS RN: 2164-61-6
CAS Name: 3-pyridazinecarboxylic acid
OPENEYE Name: pyridazine-3-carboxylic acid
IUPAC Name: pyridazine-3-carboxylic acid
SYSTEMATIC NAME: pyridazine-3-carboxylic acid
MOLECULAR FORMULA: C5H4N2O2
MOLECULAR WEIGHT: 124.09746
SMILES: C1=CC(=NN=C1)C(=O)O
Structure:
CAS RN: 2177-48-2
CAS Name: 3-pyridazinecarboxylic acid
OPENEYE Name: pyridazine-3-carboxylic acid
IUPAC Name: pyridazine-3-carboxylic acid
SYSTEMATIC NAME: pyridazine-3-carboxylic acid
MOLECULAR FORMULA: C5H4N2O2
MOLECULAR WEIGHT: 124.09746
SMILES: C1=CC(=NN=C1)C(=O)O
Structure:
CAS RN: 180-97-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H14N2O
MOLECULAR WEIGHT: 238.28446
SMILES: C1CC2=C(C=CC3=CC=CC=C23)N4C1CNC4=O
Structure:
CAS RN: 80360-09-4
CAS Name: 2-[[[4-[(2,4-diamino-6-pyrido[2,3-d]pyrimidinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diaminopyrido[2,3-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)pyrido[2,3-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H21N7O5
MOLECULAR WEIGHT: 439.42464
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=C2)C(=NC(=N3)N)N
Structure:
CAS RN: 34199-22-9
CAS Name: 6-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
OPENEYE Name: 6-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
IUPAC Name: 6-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
SYSTEMATIC NAME: 6-methyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC1=CCC2C(C1)C(=O)C=CC2=O
Structure:
CAS RN: 55341-64-5
CAS Name: benzenesulfinylmethylsulfinylbenzene
OPENEYE Name: benzenesulfinylmethylsulfinylbenzene
IUPAC Name: benzenesulfinylmethylsulfinylbenzene
SYSTEMATIC NAME: phenylsulfinylmethylsulfinylbenzene
MOLECULAR FORMULA: C13H12O2S2
MOLECULAR WEIGHT: 264.36318
SMILES: C1=CC=C(C=C1)S(=O)CS(=O)C2=CC=CC=C2
Structure:
CAS RN: 13361-36-9
CAS Name: 2-(carboxymethylthio)-2-phenylacetic acid
OPENEYE Name: 2-(carboxymethylsulfanyl)-2-phenyl-acetic acid
IUPAC Name: 2-(carboxymethylsulfanyl)-2-phenylacetic acid
SYSTEMATIC NAME: 2-(2-hydroxy-2-oxoethylsulfanyl)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C10H10O4S
MOLECULAR WEIGHT: 226.249
SMILES: C1=CC=C(C=C1)C(C(=O)O)SCC(=O)O
Structure:
CAS RN: 30751-15-6
CAS Name: 1-(dibromomethylsulfonyl)ethane
OPENEYE Name: 1-(dibromomethylsulfonyl)ethane
IUPAC Name: 1-(dibromomethylsulfonyl)ethane
SYSTEMATIC NAME: 1-[bis(bromanyl)methylsulfonyl]ethane
MOLECULAR FORMULA: C3H6Br2O2S
MOLECULAR WEIGHT: 265.95154
SMILES: CCS(=O)(=O)C(Br)Br
Structure:
CAS RN: 30749-88-3
CAS Name: [dichloro(phenyl)methyl]sulfinylmethylbenzene
OPENEYE Name: [dichloro(phenyl)methyl]sulfinylmethylbenzene
IUPAC Name: [dichloro(phenyl)methyl]sulfinylmethylbenzene
SYSTEMATIC NAME: [bis(chloranyl)-phenyl-methyl]sulfinylmethylbenzene
MOLECULAR FORMULA: C14H12Cl2OS
MOLECULAR WEIGHT: 299.21548
SMILES: C1=CC=C(C=C1)CS(=O)C(C2=CC=CC=C2)(Cl)Cl
Structure:
CAS RN: 6289-17-4
CAS Name: 1,1,4-triphenyl-2H-phthalazine
OPENEYE Name: 1,1,4-triphenyl-2H-phthalazine
IUPAC Name: 1,1,4-triphenyl-2H-phthalazine
SYSTEMATIC NAME: 1,1,4-triphenyl-2H-phthalazine
MOLECULAR FORMULA: C26H20N2
MOLECULAR WEIGHT: 360.4504
SMILES: C1=CC=C(C=C1)C2=NNC(C3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 33983-40-3
CAS Name: 2-phenyl-2-(phenylmethylthio)acetic acid
OPENEYE Name: 2-benzylsulfanyl-2-phenyl-acetic acid
IUPAC Name: 2-benzylsulfanyl-2-phenylacetic acid
SYSTEMATIC NAME: 2-phenyl-2-(phenylmethylsulfanyl)ethanoic acid
MOLECULAR FORMULA: C15H14O2S
MOLECULAR WEIGHT: 258.33546
SMILES: C1=CC=C(C=C1)CSC(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 67460-16-6
CAS Name: [chloro(phenyl)methyl]sulfonylmethylbenzene
OPENEYE Name: [chloro(phenyl)methyl]sulfonylmethylbenzene
IUPAC Name: [chloro(phenyl)methyl]sulfonylmethylbenzene
SYSTEMATIC NAME: [chloranyl(phenyl)methyl]sulfonylmethylbenzene
MOLECULAR FORMULA: C14H13ClO2S
MOLECULAR WEIGHT: 280.76982
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=CC=C2)Cl
Structure:
CAS RN: 30751-16-7
CAS Name: [bromo(dibromomethylsulfonyl)methyl]benzene
OPENEYE Name: [bromo(dibromomethylsulfonyl)methyl]benzene
IUPAC Name: [bromo(dibromomethylsulfonyl)methyl]benzene
SYSTEMATIC NAME: [bis(bromanyl)methylsulfonyl-bromanyl-methyl]benzene
MOLECULAR FORMULA: C8H7Br3O2S
MOLECULAR WEIGHT: 406.91698
SMILES: C1=CC=C(C=C1)C(S(=O)(=O)C(Br)Br)Br
Structure:
CAS RN: 5330-84-7
CAS Name: 2,4,6-triphenyl-1,3,5-trithiane
OPENEYE Name: 2,4,6-triphenyl-1,3,5-trithiane
IUPAC Name: 2,4,6-triphenyl-1,3,5-trithiane
SYSTEMATIC NAME: 2,4,6-triphenyl-1,3,5-trithiane
MOLECULAR FORMULA: C21H18S3
MOLECULAR WEIGHT: 366.56262
SMILES: C1=CC=C(C=C1)C2SC(SC(S2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 30506-02-6
CAS Name: 1,2-diphenylethenesulfonic acid; 4-methylaniline
OPENEYE Name: 1,2-diphenylethenesulfonic acid; 4-methylaniline
IUPAC Name: 1,2-diphenylethenesulfonic acid; 4-methylaniline
SYSTEMATIC NAME: 1,2-diphenylethenesulfonic acid; 4-methylaniline
MOLECULAR FORMULA: C21H21NO3S
MOLECULAR WEIGHT: 367.46134
SMILES: CC1=CC=C(C=C1)N.C1=CC=C(C=C1)C=C(C2=CC=CC=C2)S(=O)(=O)O
Structure:
CAS RN: 10393-86-9
CAS Name: methanesulfonohydrazide
OPENEYE Name: methanesulfonohydrazide
IUPAC Name: methanesulfonohydrazide
SYSTEMATIC NAME: methanesulfonohydrazide
MOLECULAR FORMULA: CH6N2O2S
MOLECULAR WEIGHT: 110.13554
SMILES: CS(=O)(=O)NN
Structure:
CAS RN: 1004-67-7
CAS Name: [dichloro(phenyl)methyl]sulfonylmethylbenzene
OPENEYE Name: [dichloro(phenyl)methyl]sulfonylmethylbenzene
IUPAC Name: [dichloro(phenyl)methyl]sulfonylmethylbenzene
SYSTEMATIC NAME: [bis(chloranyl)-phenyl-methyl]sulfonylmethylbenzene
MOLECULAR FORMULA: C14H12Cl2O2S
MOLECULAR WEIGHT: 315.21488
SMILES: C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=CC=C2)(Cl)Cl
Structure:
CAS RN: 13051-08-6
CAS Name: 4-bromo-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
OPENEYE Name: 4-bromo-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
IUPAC Name: 4-bromo-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
SYSTEMATIC NAME: 4-bromanyl-4-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-one
MOLECULAR FORMULA: C11H11BrN2O2
MOLECULAR WEIGHT: 283.12124
SMILES: CC1=NNC(=O)C1(C2=CC=C(C=C2)OC)Br
Structure:
CAS RN: 13051-10-0
CAS Name: 4-bromo-3-(4-methoxyphenyl)-4-methyl-1H-pyrazol-5-one
OPENEYE Name: 4-bromo-3-(4-methoxyphenyl)-4-methyl-1H-pyrazol-5-one
IUPAC Name: 4-bromo-3-(4-methoxyphenyl)-4-methyl-1H-pyrazol-5-one
SYSTEMATIC NAME: 4-bromanyl-3-(4-methoxyphenyl)-4-methyl-1H-pyrazol-5-one
MOLECULAR FORMULA: C11H11BrN2O2
MOLECULAR WEIGHT: 283.12124
SMILES: CC1(C(=NNC1=O)C2=CC=C(C=C2)OC)Br
Structure:
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