CAS RN: 24822-51-3
CAS Name: 2-[6-(hydroxyamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[6-(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[6-(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-(oxidanylamino)purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=NC2=C(C(=N1)NO)N=CN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 3414-62-8
CAS Name: 2-[6-(hydroxyamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[6-(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[6-(hydroxyamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-(oxidanylamino)purin-9-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=NC2=C(C(=N1)NO)N=CN2C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 39935-49-4
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]pyridine-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyridine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyridine-2,4-dione
MOLECULAR FORMULA: C10H13NO6
MOLECULAR WEIGHT: 243.21332
SMILES: C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 572-93-0
CAS Name: 2-(1,3-dioxo-2-isoindolyl)-2-phenylacetyl chloride
OPENEYE Name: 2-(1,3-dioxoisoindolin-2-yl)-2-phenyl-acetyl chloride
IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-2-phenylacetyl chloride
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-phenyl-ethanoyl chloride
MOLECULAR FORMULA: C16H10ClNO3
MOLECULAR WEIGHT: 299.7085
SMILES: C1=CC=C(C=C1)C(C(=O)Cl)N2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 4653-13-8
CAS Name: 4-(1-naphthalenyl)-4-oxobutanoic acid
OPENEYE Name: 4-(1-naphthyl)-4-oxo-butanoic acid
IUPAC Name: 4-naphthalen-1-yl-4-oxobutanoic acid
SYSTEMATIC NAME: 4-naphthalen-1-yl-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: C1=CC=C2C(=C1)C=CC=C2C(=O)CCC(=O)O
Structure:
CAS RN: 1448-36-8
CAS Name: 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid methyl ester
OPENEYE Name: methyl 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
IUPAC Name: methyl 4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
SYSTEMATIC NAME: methyl 4-[10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
MOLECULAR FORMULA: C25H42O5
MOLECULAR WEIGHT: 422.59798
SMILES: CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
Structure:
CAS RN: 10148-71-7
CAS Name: 2-amino-3-hydroxy-4-methylpentanoic acid
OPENEYE Name: 2-amino-3-hydroxy-4-methyl-pentanoic acid
IUPAC Name: 2-amino-3-hydroxy-4-methylpentanoic acid
SYSTEMATIC NAME: 2-azanyl-4-methyl-3-oxidanyl-pentanoic acid
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: CC(C)C(C(C(=O)O)N)O
Structure:
CAS RN: 36417-16-0
CAS Name: 3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione
OPENEYE Name: 3-(3,3-dichloroallyl)-4-hydroxy-naphthalene-1,2-dione
IUPAC Name: 3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione
SYSTEMATIC NAME: 3-[3,3-bis(chloranyl)prop-2-enyl]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C13H8Cl2O3
MOLECULAR WEIGHT: 283.10682
SMILES: C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O
Structure:
CAS RN: 85473-37-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O9
MOLECULAR WEIGHT: 436.45232
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24COC([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)C
Structure:
CAS RN: 84062-60-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28O9
MOLECULAR WEIGHT: 436.45232
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24COC([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)OC(=O)C
Structure:
CAS RN: 1990-01-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O8
MOLECULAR WEIGHT: 394.41564
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)O[C@H]3[C@@]24COC([C@@H]1O)([C@@H]4[C@@]5([C@@H](C3)C(=CC(=O)[C@H]5O)C)C)O)O
Structure:
CAS RN: 15938-72-4
CAS Name: 2-hydroxy-3-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-(3,4,5-trimethoxyphenyl)methyl]-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-3-[(2-hydroxy-4-oxo-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methyl]chromen-4-one
IUPAC Name: 2-hydroxy-3-[(2-hydroxy-4-oxochromen-3-yl)-(3,4,5-trimethoxyphenyl)methyl]chromen-4-one
SYSTEMATIC NAME: 2-oxidanyl-3-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-(3,4,5-trimethoxyphenyl)methyl]chromen-4-one
MOLECULAR FORMULA: C28H22O9
MOLECULAR WEIGHT: 502.46888
SMILES: COC1=CC(=CC(=C1OC)OC)C(C2=C(OC3=CC=CC=C3C2=O)O)C4=C(OC5=CC=CC=C5C4=O)O
Structure:
CAS RN: 14891-10-2
CAS Name: 3-oxo-1-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-oxopyrrolidine-1-carboxylate
IUPAC Name: ethyl 3-oxopyrrolidine-1-carboxylate
SYSTEMATIC NAME: ethyl 3-oxidanylidenepyrrolidine-1-carboxylate
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: CCOC(=O)N1CCC(=O)C1
Structure:
CAS RN: 67648-30-0
CAS Name: triphenyl-(2-phenylphenyl)iminophosphorane
OPENEYE Name: triphenyl-(2-phenylphenyl)imino-$l^{5}-phosphane
IUPAC Name: triphenyl-(2-phenylphenyl)imino-$l^{5}-phosphane
SYSTEMATIC NAME: triphenyl-(2-phenylphenyl)imino-$l^{5}-phosphane
MOLECULAR FORMULA: C30H24NP
MOLECULAR WEIGHT: 429.492021
SMILES: C1=CC=C(C=C1)C2=CC=CC=C2N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 31848-18-7
CAS Name: (4-chlorophenyl)imino-triphenylphosphorane
OPENEYE Name: (4-chlorophenyl)imino-triphenyl-$l^{5}-phosphane
IUPAC Name: (4-chlorophenyl)imino-triphenyl-$l^{5}-phosphane
SYSTEMATIC NAME: (4-chlorophenyl)imino-triphenyl-$l^{5}-phosphane
MOLECULAR FORMULA: C24H19ClNP
MOLECULAR WEIGHT: 387.841121
SMILES: C1=CC=C(C=C1)P(=NC2=CC=C(C=C2)Cl)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 204326-43-2
CAS Name: triphenyl-[3-(triphenylphosphoranylideneamino)phenyl]iminophosphorane
OPENEYE Name: triphenyl-[3-[(triphenyl-$l^{5}-phosphanylidene)amino]phenyl]imino-$l^{5}-phosphane
IUPAC Name: triphenyl-[3-[(triphenyl-$l^{5}-phosphanylidene)amino]phenyl]imino-$l^{5}-phosphane
SYSTEMATIC NAME: triphenyl-[3-[(triphenyl-$l^{5}-phosphanylidene)amino]phenyl]imino-$l^{5}-phosphane
MOLECULAR FORMULA: C42H34N2P2
MOLECULAR WEIGHT: 628.680282
SMILES: C1=CC=C(C=C1)P(=NC2=CC(=CC=C2)N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7
Structure:
CAS RN: 161058-83-9
CAS Name: 2-(4-bromophenyl)-2-methoxyacetic acid
OPENEYE Name: 2-(4-bromophenyl)-2-methoxy-acetic acid
IUPAC Name: 2-(4-bromophenyl)-2-methoxyacetic acid
SYSTEMATIC NAME: 2-(4-bromophenyl)-2-methoxy-ethanoic acid
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: COC(C1=CC=C(C=C1)Br)C(=O)O
Structure:
CAS RN: 104121-60-0
CAS Name: 2-(4-ethylphenyl)-2-hydroxyacetic acid
OPENEYE Name: 2-(4-ethylphenyl)-2-hydroxy-acetic acid
IUPAC Name: 2-(4-ethylphenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(4-ethylphenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CCC1=CC=C(C=C1)C(C(=O)O)O
Structure:
CAS RN: 58137-53-4
CAS Name: 2-(2,5-dimethylphenyl)-2-hydroxyacetic acid
OPENEYE Name: 2-(2,5-dimethylphenyl)-2-hydroxy-acetic acid
IUPAC Name: 2-(2,5-dimethylphenyl)-2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(2,5-dimethylphenyl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CC1=CC(=C(C=C1)C)C(C(=O)O)O
Structure:
CAS RN: 2397-75-3
CAS Name: 1,2,5-trimethyl-3,4-diphenylpyrrole
OPENEYE Name: 1,2,5-trimethyl-3,4-diphenyl-pyrrole
IUPAC Name: 1,2,5-trimethyl-3,4-diphenylpyrrole
SYSTEMATIC NAME: 1,2,5-trimethyl-3,4-diphenyl-pyrrole
MOLECULAR FORMULA: C19H19N
MOLECULAR WEIGHT: 261.36086
SMILES: CC1=C(C(=C(N1C)C)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 14125-95-2
CAS Name: (6-amino-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
OPENEYE Name: (6-amino-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
IUPAC Name: (6-amino-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
SYSTEMATIC NAME: (6-azanyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methanol
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: CC1(OC2C(C(OC2O1)CO)N)C
Structure:
CAS RN: 52311-20-3
CAS Name: 2-(cyclohexylamino)-1-butanol
OPENEYE Name: 2-(cyclohexylamino)butan-1-ol
IUPAC Name: 2-(cyclohexylamino)butan-1-ol
SYSTEMATIC NAME: 2-(cyclohexylamino)butan-1-ol
MOLECULAR FORMULA: C10H21NO
MOLECULAR WEIGHT: 171.27984
SMILES: CCC(CO)NC1CCCCC1
Structure:
CAS RN: 69781-68-6
CAS Name: 4-aminobenzoic acid 2-(cyclohexylamino)butyl ester; 2-hydroxyacetic acid
OPENEYE Name: 2-(cyclohexylamino)butyl 4-aminobenzoate; 2-hydroxyacetic acid
IUPAC Name: 2-(cyclohexylamino)butyl 4-aminobenzoate; 2-hydroxyacetic acid
SYSTEMATIC NAME: 2-(cyclohexylamino)butyl 4-azanylbenzoate; 2-oxidanylethanoic acid
MOLECULAR FORMULA: C19H30N2O5
MOLECULAR WEIGHT: 366.4519
SMILES: CCC(COC(=O)C1=CC=C(C=C1)N)NC2CCCCC2.C(C(=O)O)O
Structure:
CAS RN: 102374-64-1
CAS Name: 4-[(7-chloro-2-methyl-4-quinolinyl)amino]-2-(diethylaminomethyl)phenol
OPENEYE Name: 4-[(7-chloro-2-methyl-4-quinolyl)amino]-2-(diethylaminomethyl)phenol
IUPAC Name: 4-[(7-chloro-2-methylquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
SYSTEMATIC NAME: 4-[(7-chloranyl-2-methyl-quinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
MOLECULAR FORMULA: C21H24ClN3O
MOLECULAR WEIGHT: 369.88776
SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=CC(=NC3=C2C=CC(=C3)Cl)C)O
Structure:
CAS RN: 16851-69-7
CAS Name: 1,1,2-trichloro-2-(chloromethyl)cyclopropane
OPENEYE Name: 1,1,2-trichloro-2-(chloromethyl)cyclopropane
IUPAC Name: 1,1,2-trichloro-2-(chloromethyl)cyclopropane
SYSTEMATIC NAME: 1,1,2-tris(chloranyl)-2-(chloromethyl)cyclopropane
MOLECULAR FORMULA: C4H4Cl4
MOLECULAR WEIGHT: 193.88656
SMILES: C1C(C1(Cl)Cl)(CCl)Cl
Structure:
CAS RN: 1610-26-0
CAS Name: 1-nitro-4-(nitromethyl)benzene
OPENEYE Name: 1-nitro-4-(nitromethyl)benzene
IUPAC Name: 1-nitro-4-(nitromethyl)benzene
SYSTEMATIC NAME: 1-nitro-4-(nitromethyl)benzene
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: C1=CC(=CC=C1C[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 4791-70-2
CAS Name: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)methoxymethyl]benzene
OPENEYE Name: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)methoxymethyl]benzene
IUPAC Name: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)methoxymethyl]benzene
SYSTEMATIC NAME: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)methoxymethyl]benzene
MOLECULAR FORMULA: C20H26O
MOLECULAR WEIGHT: 282.41984
SMILES: CC1=CC(=C(C(=C1)C)COCC2=C(C=C(C=C2C)C)C)C
Structure:
CAS RN: 17660-75-2
CAS Name: 2,3,4,5-tetrachloro-1-cyclopenta-2,4-dienone hydrazone
OPENEYE Name: 2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-one hydrazone
IUPAC Name: (2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)hydrazine
SYSTEMATIC NAME: [2,3,4,5-tetrakis(chloranyl)cyclopenta-2,4-dien-1-ylidene]diazane
MOLECULAR FORMULA: C5H2Cl4N2
MOLECULAR WEIGHT: 231.89478
SMILES: C1(=C(C(=NN)C(=C1Cl)Cl)Cl)Cl
Structure:
CAS RN: 37097-14-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H20O
MOLECULAR WEIGHT: 324.415
SMILES: CCCC1C2=C(C=CC3=CC=CC=C32)OC4=C1C5=CC=CC=C5C=C4
Structure:
CAS RN: 5722-91-8
CAS Name: 2-anilino-1,2-diphenylethanone
OPENEYE Name: 2-anilino-1,2-diphenyl-ethanone
IUPAC Name: 2-anilino-1,2-diphenylethanone
SYSTEMATIC NAME: 1,2-diphenyl-2-phenylazanyl-ethanone
MOLECULAR FORMULA: C20H17NO
MOLECULAR WEIGHT: 287.35508
SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC=CC=C3
Structure:
CAS RN: 19051-30-0
CAS Name: 2-(2-nitrophenyl)-3-phenyl-2-propenenitrile
OPENEYE Name: 2-(2-nitrophenyl)-3-phenyl-prop-2-enenitrile
IUPAC Name: 2-(2-nitrophenyl)-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: 2-(2-nitrophenyl)-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C15H10N2O2
MOLECULAR WEIGHT: 250.2521
SMILES: C1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 91983-24-3
CAS Name: 2-[4-(dimethylamino)phenyl]iminopropanedinitrile
OPENEYE Name: 2-[4-(dimethylamino)phenyl]iminopropanedinitrile
IUPAC Name: 2-[4-(dimethylamino)phenyl]iminopropanedinitrile
SYSTEMATIC NAME: 2-[4-(dimethylamino)phenyl]iminopropanedinitrile
MOLECULAR FORMULA: C11H10N4
MOLECULAR WEIGHT: 198.2239
SMILES: CN(C)C1=CC=C(C=C1)N=C(C#N)C#N
Structure:
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