CAS RN: 84272-14-0
CAS Name: 4-(dipropylamino)-4-oxobutanoic acid prop-2-enyl ester
OPENEYE Name: allyl 4-(dipropylamino)-4-oxo-butanoate
IUPAC Name: prop-2-enyl 4-(dipropylamino)-4-oxobutanoate
SYSTEMATIC NAME: prop-2-enyl 4-(dipropylamino)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C13H23NO3
MOLECULAR WEIGHT: 241.32662
SMILES: CCCN(CCC)C(=O)CCC(=O)OCC=C
Structure:
CAS RN: 6946-64-1
CAS Name: 2-(1-hydroxycyclohexyl)acetic acid cyclopentyl ester
OPENEYE Name: cyclopentyl 2-(1-hydroxycyclohexyl)acetate
IUPAC Name: cyclopentyl 2-(1-hydroxycyclohexyl)acetate
SYSTEMATIC NAME: cyclopentyl 2-(1-oxidanylcyclohexyl)ethanoate
MOLECULAR FORMULA: C13H22O3
MOLECULAR WEIGHT: 226.31198
SMILES: C1CCC(CC1)(CC(=O)OC2CCCC2)O
Structure:
CAS RN: 6946-61-8
CAS Name: 6,9-dioxaspiro[4.4]nonane-7,8-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 6,9-dioxaspiro[4.4]nonane-7,8-dicarboxylate
IUPAC Name: diethyl 6,9-dioxaspiro[4.4]nonane-7,8-dicarboxylate
SYSTEMATIC NAME: diethyl 6,9-dioxaspiro[4.4]nonane-7,8-dicarboxylate
MOLECULAR FORMULA: C13H20O6
MOLECULAR WEIGHT: 272.2943
SMILES: CCOC(=O)C1C(OC2(O1)CCCC2)C(=O)OCC
Structure:
CAS RN: 6946-58-3
CAS Name: 2-methyl-5-phenyl-2-propyl-1,3-dioxolan-4-one
OPENEYE Name: 2-methyl-5-phenyl-2-propyl-1,3-dioxolan-4-one
IUPAC Name: 2-methyl-5-phenyl-2-propyl-1,3-dioxolan-4-one
SYSTEMATIC NAME: 2-methyl-5-phenyl-2-propyl-1,3-dioxolan-4-one
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: CCCC1(OC(C(=O)O1)C2=CC=CC=C2)C
Structure:
CAS RN: 84128-36-9
CAS Name: 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
IUPAC Name: dimethyl 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 1,4-dioxaspiro[4.5]decane-2,3-dicarboxylate
MOLECULAR FORMULA: C12H18O6
MOLECULAR WEIGHT: 258.26772
SMILES: COC(=O)C1C(OC2(O1)CCCCC2)C(=O)OC
Structure:
CAS RN: 125652-13-3
CAS Name: N,N-dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
OPENEYE Name: N,N-dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
IUPAC Name: N,N-dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
SYSTEMATIC NAME: N,N-dimethyl-4-(4-methyl-1,3-dioxolan-2-yl)aniline
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC1COC(O1)C2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 83016-58-4
CAS Name: 3-methylbenzoic acid [2-oxo-2-(4-phenylphenyl)ethyl] ester
OPENEYE Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3-methylbenzoate
IUPAC Name: [2-oxo-2-(4-phenylphenyl)ethyl] 3-methylbenzoate
SYSTEMATIC NAME: [2-oxidanylidene-2-(4-phenylphenyl)ethyl] 3-methylbenzoate
MOLECULAR FORMULA: C22H18O3
MOLECULAR WEIGHT: 330.37652
SMILES: CC1=CC=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
Structure:
CAS RN: 15284-31-8
CAS Name: 1-(2-chloroethyl)-5-tetrazolamine
OPENEYE Name: 1-(2-chloroethyl)tetrazol-5-amine
IUPAC Name: 1-(2-chloroethyl)tetrazol-5-amine
SYSTEMATIC NAME: 1-(2-chloroethyl)-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C3H6ClN5
MOLECULAR WEIGHT: 147.56624
SMILES: C(CCl)N1C(=NN=N1)N
Structure:
CAS RN: 186-04-9
CAS Name: 1-(2-chloroethyl)-5-tetrazolamine
OPENEYE Name: 1-(2-chloroethyl)tetrazol-5-amine
IUPAC Name: 1-(2-chloroethyl)tetrazol-5-amine
SYSTEMATIC NAME: 1-(2-chloroethyl)-1,2,3,4-tetrazol-5-amine
MOLECULAR FORMULA: C3H6ClN5
MOLECULAR WEIGHT: 147.56624
SMILES: C(CCl)N1C(=NN=N1)N
Structure:
CAS RN: 82042-38-4
CAS Name: 1-[bis(2-hydroxyethyl)amino]-2,4-dioxo-5-pyrimidinecarbonitrile
OPENEYE Name: 1-[bis(2-hydroxyethyl)amino]-2,4-dioxo-pyrimidine-5-carbonitrile
IUPAC Name: 1-[bis(2-hydroxyethyl)amino]-2,4-dioxopyrimidine-5-carbonitrile
SYSTEMATIC NAME: 1-[bis(2-hydroxyethyl)amino]-2,4-bis(oxidanylidene)pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C9H12N4O4
MOLECULAR WEIGHT: 240.21598
SMILES: C1=C(C(=O)NC(=O)N1N(CCO)CCO)C#N
Structure:
CAS RN: 6939-53-3
CAS Name: N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylphenyl)formamide
OPENEYE Name: N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-(m-tolyl)formamide
IUPAC Name: N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylphenyl)formamide
SYSTEMATIC NAME: N-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)-N-(3-methylphenyl)methanamide
MOLECULAR FORMULA: C12H12N4O3
MOLECULAR WEIGHT: 260.24868
SMILES: CC1=CC(=CC=C1)N(C=O)C2=C(N=C(NC2=O)N)O
Structure:
CAS RN: 1998-59-0
CAS Name: 7-chloro-5-(trifluoromethyl)thiazolo[5,4-d]pyrimidine
OPENEYE Name: 7-chloro-5-(trifluoromethyl)thiazolo[5,4-d]pyrimidine
IUPAC Name: 7-chloro-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine
SYSTEMATIC NAME: 7-chloranyl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidine
MOLECULAR FORMULA: C6HClF3N3S
MOLECULAR WEIGHT: 239.60545
SMILES: C1=NC2=C(S1)N=C(N=C2Cl)C(F)(F)F
Structure:
CAS RN: 6939-36-2
CAS Name: 4-(2-methylphenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(o-tolyl)-4-oxo-butanoic acid
IUPAC Name: 4-(2-methylphenyl)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(2-methylphenyl)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CC1=CC=CC=C1C(=O)CCC(=O)O
Structure:
CAS RN: 92153-25-8
CAS Name: 2,2-bis[(4-chlorophenyl)thio]acetic acid
OPENEYE Name: 2,2-bis[(4-chlorophenyl)sulfanyl]acetic acid
IUPAC Name: 2,2-bis[(4-chlorophenyl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2,2-bis[(4-chlorophenyl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C14H10Cl2O2S2
MOLECULAR WEIGHT: 345.264
SMILES: C1=CC(=CC=C1SC(C(=O)O)SC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 84782-21-8
CAS Name: cyclohexylsulfonylbenzene
OPENEYE Name: cyclohexylsulfonylbenzene
IUPAC Name: cyclohexylsulfonylbenzene
SYSTEMATIC NAME: cyclohexylsulfonylbenzene
MOLECULAR FORMULA: C12H16O2S
MOLECULAR WEIGHT: 224.31924
SMILES: C1CCC(CC1)S(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 6947-50-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H14N6O4S
MOLECULAR WEIGHT: 386.38516
SMILES: C1=CC2=CC=C1N=CNNC(=O)C(=O)NNC=NC3=CC=C(S2(=O)=O)C=C3
Structure:
CAS RN: 84731-63-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H14N6O4S
MOLECULAR WEIGHT: 386.38516
SMILES: C1=CC2=CC=C1N=CNNC(=O)C(=O)NNC=NC3=CC=C(S2(=O)=O)C=C3
Structure:
CAS RN: 84-71-9
CAS Name: acetic acid [2-[(1S,8S,9S,10R,13S,14S,17R)-1-(acetylthio)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(1S,8S,9S,10R,13S,14S,17R)-1-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(1S,8S,9S,10R,13S,14S,17R)-1-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(1S,8S,9S,10R,13S,14S,17R)-1-ethanoylsulfanyl-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C25H34O6S
MOLECULAR WEIGHT: 462.59886
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C[C@@H]([C@]34C)SC(=O)C)C)O
Structure:
CAS RN: 6947-47-3
CAS Name: acetic acid [2-[(1S,8S,9S,10R,13S,14S,17R)-1-(acetylthio)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(1S,8S,9S,10R,13S,14S,17R)-1-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(1S,8S,9S,10R,13S,14S,17R)-1-acetylsulfanyl-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(1S,8S,9S,10R,13S,14S,17R)-1-ethanoylsulfanyl-10,13-dimethyl-17-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C25H34O6S
MOLECULAR WEIGHT: 462.59886
SMILES: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C[C@@H]([C@]34C)SC(=O)C)C)O
Structure:
CAS RN: 6947-46-2
CAS Name: propanethioic acid S-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl) ester
OPENEYE Name: S-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl) propanethioate
IUPAC Name: S-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl) propanethioate
SYSTEMATIC NAME: S-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl) propanethioate
MOLECULAR FORMULA: C22H32O3S
MOLECULAR WEIGHT: 376.55268
SMILES: CCC(=O)SC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)O)C
Structure:
CAS RN: 84-70-8
CAS Name: acetic acid [(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(8R,9S,13S,14S,16S,17R)-16-hydroxy-3-methoxy-13,16-dimethyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,13S,14S,16S,17R)-3-methoxy-13,16-dimethyl-16-oxidanyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC(=O)O[C@@H]1[C@]2(CC[C@H]3[C@H]([C@@H]2C[C@]1(C)O)CCC4=C3C=CC(=C4)OC)C
Structure:
CAS RN: 6946-11-8
CAS Name: acetic acid [(6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
IUPAC Name: [(6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6-(trifluoromethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(6S,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-6-(trifluoromethyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C22H29F3O3
MOLECULAR WEIGHT: 398.45907
SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C(F)(F)F)C
Structure:
CAS RN: 54696-05-8
CAS Name: 1-(4-phenylmethoxyphenyl)ethanone
OPENEYE Name: 1-(4-benzyloxyphenyl)ethanone
IUPAC Name: 1-(4-phenylmethoxyphenyl)ethanone
SYSTEMATIC NAME: 1-(4-phenylmethoxyphenyl)ethanone
MOLECULAR FORMULA: C15H14O2
MOLECULAR WEIGHT: 226.27046
SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
Structure:
CAS RN: 92971-26-1
CAS Name: 6-bromo-9-(2-thiolanyl)purine
OPENEYE Name: 6-bromo-9-tetrahydrothiophen-2-yl-purine
IUPAC Name: 6-bromo-9-(thiolan-2-yl)purine
SYSTEMATIC NAME: 6-bromanyl-9-(thiolan-2-yl)purine
MOLECULAR FORMULA: C9H9BrN4S
MOLECULAR WEIGHT: 285.16356
SMILES: C1CC(SC1)N2C=NC3=C2N=CN=C3Br
Structure:
CAS RN: 5432-14-4
CAS Name: 1,1-bis(4-chlorophenyl)-2-(2,4,6-trinitrophenyl)hydrazine
OPENEYE Name: 1,1-bis(4-chlorophenyl)-2-(2,4,6-trinitrophenyl)hydrazine
IUPAC Name: 1,1-bis(4-chlorophenyl)-2-(2,4,6-trinitrophenyl)hydrazine
SYSTEMATIC NAME: 1,1-bis(4-chlorophenyl)-2-(2,4,6-trinitrophenyl)diazane
MOLECULAR FORMULA: C18H11Cl2N5O6
MOLECULAR WEIGHT: 464.21584
SMILES: C1=CC(=CC=C1N(C2=CC=C(C=C2)Cl)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl
Structure:
CAS RN: 3767-14-4
CAS Name: 1,1-bis(4-chlorophenyl)-2-(2,4,6-trinitrophenyl)hydrazine
OPENEYE Name: 1,1-bis(4-chlorophenyl)-2-(2,4,6-trinitrophenyl)hydrazine
IUPAC Name: 1,1-bis(4-chlorophenyl)-2-(2,4,6-trinitrophenyl)hydrazine
SYSTEMATIC NAME: 1,1-bis(4-chlorophenyl)-2-(2,4,6-trinitrophenyl)diazane
MOLECULAR FORMULA: C18H11Cl2N5O6
MOLECULAR WEIGHT: 464.21584
SMILES: C1=CC(=CC=C1N(C2=CC=C(C=C2)Cl)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl
Structure:
CAS RN: 84658-37-7
CAS Name: 1,1-bis(4-methylphenyl)-2-(2,4,6-trinitrophenyl)hydrazine
OPENEYE Name: 1,1-bis(p-tolyl)-2-(2,4,6-trinitrophenyl)hydrazine
IUPAC Name: 1,1-bis(4-methylphenyl)-2-(2,4,6-trinitrophenyl)hydrazine
SYSTEMATIC NAME: 1,1-bis(4-methylphenyl)-2-(2,4,6-trinitrophenyl)diazane
MOLECULAR FORMULA: C20H17N5O6
MOLECULAR WEIGHT: 423.37888
SMILES: CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 89897-46-1
CAS Name: 3-methyl-6-(methylamino)-2-(methylthio)-5-nitroso-4-pyrimidinone
OPENEYE Name: 3-methyl-6-(methylamino)-2-methylsulfanyl-5-nitroso-pyrimidin-4-one
IUPAC Name: 3-methyl-6-(methylamino)-2-methylsulfanyl-5-nitrosopyrimidin-4-one
SYSTEMATIC NAME: 3-methyl-6-(methylamino)-2-methylsulfanyl-5-nitroso-pyrimidin-4-one
MOLECULAR FORMULA: C7H10N4O2S
MOLECULAR WEIGHT: 214.2449
SMILES: CNC1=C(C(=O)N(C(=N1)SC)C)N=O
Structure:
CAS RN: 90881-68-8
CAS Name: 2-[[4-[bis(2-chloroethyl)amino]phenyl]thio]acetic acid
OPENEYE Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetic acid
IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetic acid
SYSTEMATIC NAME: 2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylethanoic acid
MOLECULAR FORMULA: C12H15Cl2NO2S
MOLECULAR WEIGHT: 308.224
SMILES: C1=CC(=CC=C1N(CCCl)CCCl)SCC(=O)O
Structure:
CAS RN: 7597-42-4
CAS Name: 2,3-diphenyl-1H-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
OPENEYE Name: 2,3-diphenyl-1H-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
IUPAC Name: 2,3-diphenyl-1H-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
SYSTEMATIC NAME: 2,3-diphenyl-1H-1,3,2$l^{5}-benzodiazaphosphole 2-oxide
MOLECULAR FORMULA: C18H15N2OP
MOLECULAR WEIGHT: 306.298261
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3NP2(=O)C4=CC=CC=C4
Structure:
No comments:
Post a Comment