CAS RN: 3052-06-0
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11IN2O6
MOLECULAR WEIGHT: 370.09791
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)I
Structure:
CAS RN: 383-50-6
CAS Name: 4-methylbenzenesulfonic acid 2-fluoroethyl ester
OPENEYE Name: 2-fluoroethyl 4-methylbenzenesulfonate
IUPAC Name: 2-fluoroethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-fluoranylethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C9H11FO3S
MOLECULAR WEIGHT: 218.245243
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCF
Structure:
CAS RN: 17696-95-6
CAS Name: 1-amino-3-methylurea
OPENEYE Name: 1-amino-3-methyl-urea
IUPAC Name: 1-amino-3-methylurea
SYSTEMATIC NAME: 1-azanyl-3-methyl-urea
MOLECULAR FORMULA: C2H7N3O
MOLECULAR WEIGHT: 89.09648
SMILES: CNC(=O)NN
Structure:
CAS RN: 16304-61-3
CAS Name: 1,3-bis(2-bromoethyl)urea
OPENEYE Name: 1,3-bis(2-bromoethyl)urea
IUPAC Name: 1,3-bis(2-bromoethyl)urea
SYSTEMATIC NAME: 1,3-bis(2-bromoethyl)urea
MOLECULAR FORMULA: C5H10Br2N2O
MOLECULAR WEIGHT: 273.9537
SMILES: C(CBr)NC(=O)NCCBr
Structure:
CAS RN: 16281-65-5
CAS Name: 1-(2-chloroethyl)-3-[2-[[(2-chloroethylamino)-oxomethyl]amino]phenyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[2-(2-chloroethylcarbamoylamino)phenyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[2-(2-chloroethylcarbamoylamino)phenyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[2-(2-chloroethylcarbamoylamino)phenyl]urea
MOLECULAR FORMULA: C12H16Cl2N4O2
MOLECULAR WEIGHT: 319.18704
SMILES: C1=CC=C(C(=C1)NC(=O)NCCCl)NC(=O)NCCCl
Structure:
CAS RN: 16206-40-9
CAS Name: N1,N4-bis(2-chloroethyl)-N1,N4-dinitrosopiperazine-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis(2-chloroethyl)-N1,N4-dinitroso-piperazine-1,4-dicarboxamide
IUPAC Name: 1-N,4-N-bis(2-chloroethyl)-1-N,4-N-dinitrosopiperazine-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis(2-chloroethyl)-N1,N4-dinitroso-piperazine-1,4-dicarboxamide
MOLECULAR FORMULA: C10H16Cl2N6O4
MOLECULAR WEIGHT: 355.17784
SMILES: C1CN(CCN1C(=O)N(CCCl)N=O)C(=O)N(CCCl)N=O
Structure:
CAS RN: 4734-86-5
CAS Name: 2,3-dihydro-1H-cyclopenta[b]thiochromen-9-one
OPENEYE Name: 2,3-dihydro-1H-cyclopenta[b]thiochromen-9-one
IUPAC Name: 2,3-dihydro-1H-cyclopenta[b]thiochromen-9-one
SYSTEMATIC NAME: 2,3-dihydro-1H-cyclopenta[b]thiochromen-9-one
MOLECULAR FORMULA: C12H10OS
MOLECULAR WEIGHT: 202.2722
SMILES: C1CC2=C(C1)SC3=CC=CC=C3C2=O
Structure:
CAS RN: 62331-83-3
CAS Name: acetic acid (2-methyl-1,1-dioxo-1-benzothiophen-3-yl) ester
OPENEYE Name: (2-methyl-1,1-dioxo-benzothiophen-3-yl) acetate
IUPAC Name: (2-methyl-1,1-dioxo-1-benzothiophen-3-yl) acetate
SYSTEMATIC NAME: [2-methyl-1,1-bis(oxidanylidene)-1-benzothiophen-3-yl] ethanoate
MOLECULAR FORMULA: C11H10O4S
MOLECULAR WEIGHT: 238.2597
SMILES: CC1=C(C2=CC=CC=C2S1(=O)=O)OC(=O)C
Structure:
CAS RN: 21886-12-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H73NO16
MOLECULAR WEIGHT: 884.05822
SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
Structure:
CAS RN: 19121-58-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H73NO16
MOLECULAR WEIGHT: 884.05822
SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1
Structure:
CAS RN: 91587-88-1
CAS Name: 6-amino-2-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 6-amino-2-oxo-chromene-3-carboxylic acid
IUPAC Name: 6-amino-2-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 6-azanyl-2-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C10H7NO4
MOLECULAR WEIGHT: 205.16688
SMILES: C1=CC2=C(C=C1N)C=C(C(=O)O2)C(=O)O
Structure:
CAS RN: 109430-43-5
CAS Name: acetic acid [(2R,8R,9S,10R,13S,14S,17S)-2-fluoro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(2R,8R,9S,10R,13S,14S,17S)-2-fluoro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(2R,8R,9S,10R,13S,14S,17S)-2-fluoro-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(2R,8R,9S,10R,13S,14S,17S)-2-fluoranyl-13-methyl-3-oxidanylidene-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C20H27FO3
MOLECULAR WEIGHT: 334.424983
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)[C@@H](C[C@H]34)F)C
Structure:
CAS RN: 17684-12-7
CAS Name: (2R,8R,9S,10R,13S,14S,17S)-2-fluoro-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (2R,8R,9S,10R,13S,14S,17S)-2-fluoro-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (2R,8R,9S,10R,13S,14S,17S)-2-fluoro-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (2R,8R,9S,10R,13S,14S,17S)-2-fluoranyl-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C18H25FO2
MOLECULAR WEIGHT: 292.388303
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)[C@@H](C[C@H]34)F
Structure:
CAS RN: 2842-44-6
CAS Name: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-3,3-difluoro-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-3,3-difluoro-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-3,3-difluoro-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (5S,8R,9S,10S,13S,14S,17R)-17-ethynyl-3,3-bis(fluoranyl)-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H30F2O
MOLECULAR WEIGHT: 336.459106
SMILES: C[C@]12CCC(C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)(F)F
Structure:
CAS RN: 1477-19-6
CAS Name: (2-ethyl-3-benzofuranyl)-(4-hydroxyphenyl)methanone
OPENEYE Name: (2-ethylbenzofuran-3-yl)-(4-hydroxyphenyl)methanone
IUPAC Name: (2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
SYSTEMATIC NAME: (2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone
MOLECULAR FORMULA: C17H14O3
MOLECULAR WEIGHT: 266.29126
SMILES: CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O
Structure:
CAS RN: 2446-13-1
CAS Name: 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 3-ethyl-5-oxo-pyrrolidine-2,2-dicarboxylate
IUPAC Name: diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate
SYSTEMATIC NAME: diethyl 3-ethyl-5-oxidanylidene-pyrrolidine-2,2-dicarboxylate
MOLECULAR FORMULA: C12H19NO5
MOLECULAR WEIGHT: 257.28296
SMILES: CCC1CC(=O)NC1(C(=O)OCC)C(=O)OCC
Structure:
CAS RN: 34599-04-7
CAS Name: 2,3,5,6-tetramethylbenzonitrile oxide
OPENEYE Name: 2,3,5,6-tetramethylbenzonitrile oxide
IUPAC Name: 2,3,5,6-tetramethylbenzonitrile oxide
SYSTEMATIC NAME: 2,3,5,6-tetramethylbenzenecarbonitrile oxide
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1=CC(=C(C(=C1C)C#[N+][O-])C)C
Structure:
CAS RN: 36245-29-1
CAS Name: benzoic acid 2,3,4,5-tetrabenzoyloxypentyl ester
OPENEYE Name: 2,3,4,5-tetrabenzoyloxypentyl benzoate
IUPAC Name: 2,3,4,5-tetrabenzoyloxypentyl benzoate
SYSTEMATIC NAME: 2,3,4,5-tetrakis(phenylcarbonyloxy)pentyl benzoate
MOLECULAR FORMULA: C40H32O10
MOLECULAR WEIGHT: 672.67608
SMILES: C1=CC=C(C=C1)C(=O)OCC(C(C(COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
Structure:
CAS RN: 13059-05-7
CAS Name: 4-methylbenzenesulfonic acid [3-methoxy-4-(4-methylphenyl)sulfonyloxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] ester
OPENEYE Name: [3-methoxy-4-(p-tolylsulfonyloxy)-2,6-dioxabicyclo[3.2.1]octan-8-yl] 4-methylbenzenesulfonate
IUPAC Name: [3-methoxy-4-(4-methylphenyl)sulfonyloxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [3-methoxy-4-(4-methylphenyl)sulfonyloxy-2,6-dioxabicyclo[3.2.1]octan-8-yl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H24O9S2
MOLECULAR WEIGHT: 484.53986
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2C3COC2C(C(O3)OC)OS(=O)(=O)C4=CC=C(C=C4)C
Structure:
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