CAS RN: 7499-05-0
CAS Name: 3-bromo-4,4-dimethylpentanamide
OPENEYE Name: 3-bromo-4,4-dimethyl-pentanamide
IUPAC Name: 3-bromo-4,4-dimethylpentanamide
SYSTEMATIC NAME: 3-bromanyl-4,4-dimethyl-pentanamide
MOLECULAR FORMULA: C7H14BrNO
MOLECULAR WEIGHT: 208.09616
SMILES: CC(C)(C)C(CC(=O)N)Br
Structure:
CAS RN: 7499-04-9
CAS Name: 2-(1-hydroxycyclopentyl)acetic acid
OPENEYE Name: 2-(1-hydroxycyclopentyl)acetic acid
IUPAC Name: 2-(1-hydroxycyclopentyl)acetic acid
SYSTEMATIC NAME: 2-(1-oxidanylcyclopentyl)ethanoic acid
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: C1CCC(C1)(CC(=O)O)O
Structure:
CAS RN: 5947-23-9
CAS Name: 2,4,6-tribromobenzamide
OPENEYE Name: 2,4,6-tribromobenzamide
IUPAC Name: 2,4,6-tribromobenzamide
SYSTEMATIC NAME: 2,4,6-tris(bromanyl)benzamide
MOLECULAR FORMULA: C7H4Br3NO
MOLECULAR WEIGHT: 357.82476
SMILES: C1=C(C=C(C(=C1Br)C(=O)N)Br)Br
Structure:
CAS RN: 7499-00-5
CAS Name: 2-cyclohexyl-6-[(dimethylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
OPENEYE Name: 2-cyclohexyl-6-[(dimethylamino)methyl]-4-(1,1,3,3-tetramethylbutyl)phenol
IUPAC Name: 2-cyclohexyl-6-[(dimethylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SYSTEMATIC NAME: 2-cyclohexyl-6-[(dimethylamino)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
MOLECULAR FORMULA: C23H39NO
MOLECULAR WEIGHT: 345.56186
SMILES: CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)C2CCCCC2)O)CN(C)C
Structure:
CAS RN: 18100-12-4
CAS Name: 3-[3-(4-chlorophenyl)propyl]-4-hydroxynaphthalene-1,2-dione
OPENEYE Name: 3-[3-(4-chlorophenyl)propyl]-4-hydroxy-naphthalene-1,2-dione
IUPAC Name: 3-[3-(4-chlorophenyl)propyl]-4-hydroxynaphthalene-1,2-dione
SYSTEMATIC NAME: 3-[3-(4-chlorophenyl)propyl]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C19H15ClO3
MOLECULAR WEIGHT: 326.7736
SMILES: C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CCCC3=CC=C(C=C3)Cl)O
Structure:
CAS RN: 7498-94-4
CAS Name: N'-(6-methoxy-8-quinolinyl)-N-methylhexane-1,6-diamine; oxalic acid
OPENEYE Name: N'-(6-methoxy-8-quinolyl)-N-methyl-hexane-1,6-diamine; oxalic acid
IUPAC Name: N'-(6-methoxyquinolin-8-yl)-N-methylhexane-1,6-diamine; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; N'-(6-methoxyquinolin-8-yl)-N-methyl-hexane-1,6-diamine
MOLECULAR FORMULA: C19H27N3O5
MOLECULAR WEIGHT: 377.43478
SMILES: CNCCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.C(=O)(C(=O)O)O
Structure:
CAS RN: 7498-47-7
CAS Name: bis[4-(dimethylamino)phenyl]phosphinous acid
OPENEYE Name: bis[4-(dimethylamino)phenyl]phosphinous acid
IUPAC Name: bis[4-(dimethylamino)phenyl]phosphinous acid
SYSTEMATIC NAME: bis[4-(dimethylamino)phenyl]phosphinous acid
MOLECULAR FORMULA: C16H21N2OP
MOLECULAR WEIGHT: 288.324501
SMILES: CN(C)C1=CC=C(C=C1)P(C2=CC=C(C=C2)N(C)C)O
Structure:
CAS RN: 7498-46-6
CAS Name: 1-(1H-benzimidazol-2-yl)-N-(phenylmethyl)ethanamine; 2-hydroxyacetic acid
OPENEYE Name: 1-(1H-benzimidazol-2-yl)-N-benzyl-ethanamine; 2-hydroxyacetic acid
IUPAC Name: 1-(1H-benzimidazol-2-yl)-N-benzylethanamine; 2-hydroxyacetic acid
SYSTEMATIC NAME: 1-(1H-benzimidazol-2-yl)-N-(phenylmethyl)ethanamine; 2-oxidanylethanoic acid
MOLECULAR FORMULA: C18H21N3O3
MOLECULAR WEIGHT: 327.37764
SMILES: CC(C1=NC2=CC=CC=C2N1)NCC3=CC=CC=C3.C(C(=O)O)O
Structure:
CAS RN: 7396-21-6
CAS Name: 1-(1-anthracenyl)ethanone
OPENEYE Name: 1-(1-anthryl)ethanone
IUPAC Name: 1-anthracen-1-ylethanone
SYSTEMATIC NAME: 1-anthracen-1-ylethanone
MOLECULAR FORMULA: C16H12O
MOLECULAR WEIGHT: 220.26588
SMILES: CC(=O)C1=CC=CC2=CC3=CC=CC=C3C=C21
Structure:
CAS RN: 7498-43-3
CAS Name: 4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one
OPENEYE Name: 4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxychromen-2-one
IUPAC Name: 4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
SYSTEMATIC NAME: 4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxychromen-2-one
MOLECULAR FORMULA: C15H16O8
MOLECULAR WEIGHT: 324.28274
SMILES: C1=CC=C2C(=C1)C(=CC(=O)O2)OC3C(C(C(C(O3)CO)O)O)O
Structure:
CAS RN: 5942-96-1
CAS Name: 6-oxo-3-pyrancarboxylic acid ethyl ester
OPENEYE Name: ethyl 6-oxopyran-3-carboxylate
IUPAC Name: ethyl 6-oxopyran-3-carboxylate
SYSTEMATIC NAME: ethyl 6-oxidanylidenepyran-3-carboxylate
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: CCOC(=O)C1=COC(=O)C=C1
Structure:
CAS RN: 7498-39-7
CAS Name: 5-(hydrazinylmethyl)-2-methyl-1H-pyrimidin-6-one
OPENEYE Name: 5-(hydrazinomethyl)-2-methyl-1H-pyrimidin-6-one
IUPAC Name: 5-(hydrazinylmethyl)-2-methyl-1H-pyrimidin-6-one
SYSTEMATIC NAME: 5-(diazanylmethyl)-2-methyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C6H10N4O
MOLECULAR WEIGHT: 154.1698
SMILES: CC1=NC=C(C(=O)N1)CNN
Structure:
CAS RN: 2990-12-7
CAS Name: 4-nitrosobenzenesulfonamide
OPENEYE Name: 4-nitrosobenzenesulfonamide
IUPAC Name: 4-nitrosobenzenesulfonamide
SYSTEMATIC NAME: 4-nitrosobenzenesulfonamide
MOLECULAR FORMULA: C6H6N2O3S
MOLECULAR WEIGHT: 186.18844
SMILES: C1=CC(=CC=C1N=O)S(=O)(=O)N
Structure:
CAS RN: 88839-86-5
CAS Name: N-[1-(4-hydroxy-3-oxo-1-cyclohepta-1,4,6-trienyl)-3-(3,4,5-trimethoxyphenyl)propyl]acetamide
OPENEYE Name: N-[1-(4-hydroxy-3-oxo-cyclohepta-1,4,6-trien-1-yl)-3-(3,4,5-trimethoxyphenyl)propyl]acetamide
IUPAC Name: N-[1-(4-hydroxy-3-oxocyclohepta-1,4,6-trien-1-yl)-3-(3,4,5-trimethoxyphenyl)propyl]acetamide
SYSTEMATIC NAME: N-[1-(4-oxidanyl-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)-3-(3,4,5-trimethoxyphenyl)propyl]ethanamide
MOLECULAR FORMULA: C21H25NO6
MOLECULAR WEIGHT: 387.4263
SMILES: CC(=O)NC(CCC1=CC(=C(C(=C1)OC)OC)OC)C2=CC(=O)C(=CC=C2)O
Structure:
CAS RN: 7498-36-4
CAS Name: 1-[4-(2,5-dimethyl-1-pyrrolidinyl)but-2-ynyl]-2,5-dimethylpyrrolidine
OPENEYE Name: 1-[4-(2,5-dimethylpyrrolidin-1-yl)but-2-ynyl]-2,5-dimethyl-pyrrolidine
IUPAC Name: 1-[4-(2,5-dimethylpyrrolidin-1-yl)but-2-ynyl]-2,5-dimethylpyrrolidine
SYSTEMATIC NAME: 1-[4-(2,5-dimethylpyrrolidin-1-yl)but-2-ynyl]-2,5-dimethyl-pyrrolidine
MOLECULAR FORMULA: C16H28N2
MOLECULAR WEIGHT: 248.40692
SMILES: CC1CCC(N1CC#CCN2C(CCC2C)C)C
Structure:
CAS RN: 730-28-9
CAS Name: 1-[4-(1-azepanyl)but-2-ynyl]azepane
OPENEYE Name: 1-[4-(azepan-1-yl)but-2-ynyl]azepane
IUPAC Name: 1-[4-(azepan-1-yl)but-2-ynyl]azepane
SYSTEMATIC NAME: 1-[4-(azepan-1-yl)but-2-ynyl]azepane
MOLECULAR FORMULA: C16H28N2
MOLECULAR WEIGHT: 248.40692
SMILES: C1CCCN(CC1)CC#CCN2CCCCCC2
Structure:
CAS RN: 7498-35-3
CAS Name: 3-methyl-1-[4-(3-methyl-1-piperidinyl)but-2-ynyl]piperidine
OPENEYE Name: 3-methyl-1-[4-(3-methyl-1-piperidyl)but-2-ynyl]piperidine
IUPAC Name: 3-methyl-1-[4-(3-methylpiperidin-1-yl)but-2-ynyl]piperidine
SYSTEMATIC NAME: 3-methyl-1-[4-(3-methylpiperidin-1-yl)but-2-ynyl]piperidine
MOLECULAR FORMULA: C16H28N2
MOLECULAR WEIGHT: 248.40692
SMILES: CC1CCCN(C1)CC#CCN2CCCC(C2)C
Structure:
CAS RN: 7498-34-2
CAS Name: 4-methyl-1-[4-(4-methyl-1-piperidinyl)but-2-ynyl]piperidine
OPENEYE Name: 4-methyl-1-[4-(4-methyl-1-piperidyl)but-2-ynyl]piperidine
IUPAC Name: 4-methyl-1-[4-(4-methylpiperidin-1-yl)but-2-ynyl]piperidine
SYSTEMATIC NAME: 4-methyl-1-[4-(4-methylpiperidin-1-yl)but-2-ynyl]piperidine
MOLECULAR FORMULA: C16H28N2
MOLECULAR WEIGHT: 248.40692
SMILES: CC1CCN(CC1)CC#CCN2CCC(CC2)C
Structure:
CAS RN: 7498-31-9
CAS Name: 2-[[(2,5-difluoro-4-nitrophenyl)-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(2,5-difluoro-4-nitro-benzoyl)amino]pentanedioate
IUPAC Name: diethyl 2-[(2,5-difluoro-4-nitrobenzoyl)amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[2,5-bis(fluoranyl)-4-nitro-phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C16H18F2N2O7
MOLECULAR WEIGHT: 388.320126
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC(=C(C=C1F)[N+](=O)[O-])F
Structure:
CAS RN: 91244-80-3
CAS Name: 6-chloro-9-hexylpurine
OPENEYE Name: 6-chloro-9-hexyl-purine
IUPAC Name: 6-chloro-9-hexylpurine
SYSTEMATIC NAME: 6-chloranyl-9-hexyl-purine
MOLECULAR FORMULA: C11H15ClN4
MOLECULAR WEIGHT: 238.7166
SMILES: CCCCCCN1C=NC2=C1N=CN=C2Cl
Structure:
CAS RN: 91561-57-8
CAS Name: 6-chloro-9-heptylpurine
OPENEYE Name: 6-chloro-9-heptyl-purine
IUPAC Name: 6-chloro-9-heptylpurine
SYSTEMATIC NAME: 6-chloranyl-9-heptyl-purine
MOLECULAR FORMULA: C12H17ClN4
MOLECULAR WEIGHT: 252.74318
SMILES: CCCCCCCN1C=NC2=C1N=CN=C2Cl
Structure:
CAS RN: 2715-73-3
CAS Name: 9-heptyl-6-purinamine
OPENEYE Name: 9-heptylpurin-6-amine
IUPAC Name: 9-heptylpurin-6-amine
SYSTEMATIC NAME: 9-heptylpurin-6-amine
MOLECULAR FORMULA: C12H19N5
MOLECULAR WEIGHT: 233.31276
SMILES: CCCCCCCN1C=NC2=C1N=CN=C2N
Structure:
CAS RN: 7498-28-4
CAS Name: [(5-amino-4-oxo-1H-pyrimidin-6-yl)amino]urea
OPENEYE Name: [(5-amino-4-oxo-1H-pyrimidin-6-yl)amino]urea
IUPAC Name: [(5-amino-4-oxo-1H-pyrimidin-6-yl)amino]urea
SYSTEMATIC NAME: 1-[(5-azanyl-4-oxidanylidene-1H-pyrimidin-6-yl)amino]urea
MOLECULAR FORMULA: C5H8N6O2
MOLECULAR WEIGHT: 184.15602
SMILES: C1=NC(=O)C(=C(N1)NNC(=O)N)N
Structure:
CAS RN: 7498-27-3
CAS Name: N-(7-chloro-3-triazolo[4,5-d]pyrimidinyl)-1-phenylmethanimine
OPENEYE Name: N-(7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-1-phenyl-methanimine
IUPAC Name: N-(7-chlorotriazolo[4,5-d]pyrimidin-3-yl)-1-phenylmethanimine
SYSTEMATIC NAME: N-(7-chloranyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-1-phenyl-methanimine
MOLECULAR FORMULA: C11H7ClN6
MOLECULAR WEIGHT: 258.66648
SMILES: C1=CC=C(C=C1)C=NN2C3=C(C(=NC=N3)Cl)N=N2
Structure:
CAS RN: 3210-38-6
CAS Name: 7-chloro-8-tetrazolo[1,5-c]pyrimidinamine
OPENEYE Name: 7-chlorotetrazolo[1,5-c]pyrimidin-8-amine
IUPAC Name: 7-chlorotetrazolo[1,5-c]pyrimidin-8-amine
SYSTEMATIC NAME: 7-chloranyl-[1,2,3,4]tetrazolo[1,5-c]pyrimidin-8-amine
MOLECULAR FORMULA: C4H3ClN6
MOLECULAR WEIGHT: 170.55982
SMILES: C1=NC(=C(C2=NN=NN21)N)Cl
Structure:
CAS RN: 91115-01-4
CAS Name: 5-chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
OPENEYE Name: 5-chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
IUPAC Name: 5-chloro-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
SYSTEMATIC NAME: 5-chloranyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
MOLECULAR FORMULA: C5H4ClN5
MOLECULAR WEIGHT: 169.57176
SMILES: C1=NC2=C(NN1)N=CN=C2Cl
Structure:
CAS RN: 89284-30-0
CAS Name: 6-chloro-9-purinamine
OPENEYE Name: 6-chloropurin-9-amine
IUPAC Name: 6-chloropurin-9-amine
SYSTEMATIC NAME: 6-chloranylpurin-9-amine
MOLECULAR FORMULA: C5H4ClN5
MOLECULAR WEIGHT: 169.57176
SMILES: C1=NC2=C(C(=N1)Cl)N=CN2N
Structure:
CAS RN: 7597-91-3
CAS Name: N'-(5-amino-6-chloro-4-pyrimidinyl)acetohydrazide
OPENEYE Name: N'-(5-amino-6-chloro-pyrimidin-4-yl)acetohydrazide
IUPAC Name: N'-(5-amino-6-chloropyrimidin-4-yl)acetohydrazide
SYSTEMATIC NAME: N'-(5-azanyl-6-chloranyl-pyrimidin-4-yl)ethanehydrazide
MOLECULAR FORMULA: C6H8ClN5O
MOLECULAR WEIGHT: 201.61362
SMILES: CC(=O)NNC1=C(C(=NC=N1)Cl)N
Structure:
CAS RN: 92385-17-6
CAS Name: N-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)methanimidic acid ethyl ester
OPENEYE Name: ethyl N-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)methanimidate
IUPAC Name: ethyl N-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)methanimidate
SYSTEMATIC NAME: ethyl N-(7-chloranyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl)methanimidate
MOLECULAR FORMULA: C8H8ClN5O
MOLECULAR WEIGHT: 225.63502
SMILES: CCOC=NC1=C(N=CN2C1=NN=C2)Cl
Structure:
CAS RN: 7498-26-2
CAS Name: 7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
OPENEYE Name: 7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
IUPAC Name: 7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
SYSTEMATIC NAME: 7-chloranyl-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
MOLECULAR FORMULA: C5H4ClN5
MOLECULAR WEIGHT: 169.57176
SMILES: C1=NC(=C(C2=NN=CN21)N)Cl
Structure:
CAS RN: 719-67-5
CAS Name: 9-hexyl-6-purinamine
OPENEYE Name: 9-hexylpurin-6-amine
IUPAC Name: 9-hexylpurin-6-amine
SYSTEMATIC NAME: 9-hexylpurin-6-amine
MOLECULAR FORMULA: C11H17N5
MOLECULAR WEIGHT: 219.28618
SMILES: CCCCCCN1C=NC2=C1N=CN=C2N
Structure:
CAS RN: 7498-24-0
CAS Name: 9-heptyl-3H-purin-6-one
OPENEYE Name: 9-heptyl-3H-purin-6-one
IUPAC Name: 9-heptyl-3H-purin-6-one
SYSTEMATIC NAME: 9-heptyl-3H-purin-6-one
MOLECULAR FORMULA: C12H18N4O
MOLECULAR WEIGHT: 234.29752
SMILES: CCCCCCCN1C=NC2=C1NC=NC2=O
Structure:
CAS RN: 7509-49-1
CAS Name: 2'-[(3,4-dimethylphenyl)methyl]-1'-(4-methylphenyl)sulfonyl-2-spiro[1H-indole-3,3'-pyrrolidine]one
OPENEYE Name: 2'-[(3,4-dimethylphenyl)methyl]-1'-(p-tolylsulfonyl)spiro[indoline-3,3'-pyrrolidine]-2-one
IUPAC Name: 2'-[(3,4-dimethylphenyl)methyl]-1'-(4-methylphenyl)sulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SYSTEMATIC NAME: 2'-[(3,4-dimethylphenyl)methyl]-1'-(4-methylphenyl)sulfonyl-spiro[1H-indole-3,3'-pyrrolidine]-2-one
MOLECULAR FORMULA: C27H28N2O3S
MOLECULAR WEIGHT: 460.58782
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2CC4=CC(=C(C=C4)C)C)C5=CC=CC=C5NC3=O
Structure:
CAS RN: 7509-48-0
CAS Name: 2-triphenylphosphoranylidenepropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanedioate
IUPAC Name: diethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanedioate
SYSTEMATIC NAME: diethyl 2-(triphenyl-$l^{5}-phosphanylidene)propanedioate
MOLECULAR FORMULA: C25H25O4P
MOLECULAR WEIGHT: 420.437361
SMILES: CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC
Structure:
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