CAS RN: 18162-01-1
CAS Name: 1-methyl-3-[2-(5-nitro-2,4-dioxo-1-pyrimidinyl)ethylideneamino]thiourea
OPENEYE Name: 1-methyl-3-[2-(5-nitro-2,4-dioxo-pyrimidin-1-yl)ethylideneamino]thiourea
IUPAC Name: 1-methyl-3-[2-(5-nitro-2,4-dioxopyrimidin-1-yl)ethylideneamino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[2-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethylideneamino]thiourea
MOLECULAR FORMULA: C8H10N6O4S
MOLECULAR WEIGHT: 286.2678
SMILES: CNC(=S)NN=CCN1C=C(C(=O)NC1=O)[N+](=O)[O-]
Structure:
CAS RN: 34397-03-0
CAS Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanoic acid
OPENEYE Name: 7-(6-thioxo-3H-purin-9-yl)heptanoic acid
IUPAC Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanoic acid
SYSTEMATIC NAME: 7-(6-sulfanylidene-3H-purin-9-yl)heptanoic acid
MOLECULAR FORMULA: C12H16N4O2S
MOLECULAR WEIGHT: 280.34604
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)CCCCCCC(=O)O
Structure:
CAS RN: 32403-30-8
CAS Name: 1-(1-adamantyl)-3-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[[2-chloro-4-(dimethylamino)phenyl]methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[[2-chloro-4-(dimethylamino)phenyl]methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[[2-chloranyl-4-(dimethylamino)phenyl]methylideneamino]thiourea
MOLECULAR FORMULA: C20H27ClN4S
MOLECULAR WEIGHT: 390.97318
SMILES: CN(C)C1=CC(=C(C=C1)C=NNC(=S)NC23CC4CC(C2)CC(C4)C3)Cl
Structure:
CAS RN: 21326-12-5
CAS Name: 6-(dimethoxymethyl)-5-(1-naphthalenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 6-(dimethoxymethyl)-5-(1-naphthylmethyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 6-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 6-(dimethoxymethyl)-5-(naphthalen-1-ylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C18H18N2O3S
MOLECULAR WEIGHT: 342.41212
SMILES: COC(C1=C(C(=O)NC(=S)N1)CC2=CC=CC3=CC=CC=C32)OC
Structure:
CAS RN: 18981-64-1
CAS Name: 4-azido-6-methoxy-2-methyl-3-oxanol
OPENEYE Name: 4-azido-6-methoxy-2-methyl-tetrahydropyran-3-ol
IUPAC Name: 4-azido-6-methoxy-2-methyloxan-3-ol
SYSTEMATIC NAME: 4-azido-6-methoxy-2-methyl-oxan-3-ol
MOLECULAR FORMULA: C7H13N3O3
MOLECULAR WEIGHT: 187.19642
SMILES: CC1C(C(CC(O1)OC)N=[N+]=[N-])O
Structure:
CAS RN: 54623-22-2
CAS Name: 4-azido-6-methoxy-2-methyl-3-oxanol
OPENEYE Name: 4-azido-6-methoxy-2-methyl-tetrahydropyran-3-ol
IUPAC Name: 4-azido-6-methoxy-2-methyloxan-3-ol
SYSTEMATIC NAME: 4-azido-6-methoxy-2-methyl-oxan-3-ol
MOLECULAR FORMULA: C7H13N3O3
MOLECULAR WEIGHT: 187.19642
SMILES: CC1C(C(CC(O1)OC)N=[N+]=[N-])O
Structure:
CAS RN: 56552-71-7
CAS Name: 4-azido-6-methoxy-2-methyl-3-oxanol
OPENEYE Name: 4-azido-6-methoxy-2-methyl-tetrahydropyran-3-ol
IUPAC Name: 4-azido-6-methoxy-2-methyloxan-3-ol
SYSTEMATIC NAME: 4-azido-6-methoxy-2-methyl-oxan-3-ol
MOLECULAR FORMULA: C7H13N3O3
MOLECULAR WEIGHT: 187.19642
SMILES: CC1C(C(CC(O1)OC)N=[N+]=[N-])O
Structure:
CAS RN: 72002-52-9
CAS Name: 4-azido-6-methoxy-2-methyl-3-oxanol
OPENEYE Name: 4-azido-6-methoxy-2-methyl-tetrahydropyran-3-ol
IUPAC Name: 4-azido-6-methoxy-2-methyloxan-3-ol
SYSTEMATIC NAME: 4-azido-6-methoxy-2-methyl-oxan-3-ol
MOLECULAR FORMULA: C7H13N3O3
MOLECULAR WEIGHT: 187.19642
SMILES: CC1C(C(CC(O1)OC)N=[N+]=[N-])O
Structure:
CAS RN: 27702-29-0
CAS Name: N1,N4-bis[(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
OPENEYE Name: N1,N4-bis[(4-nitrophenyl)methyleneamino]phthalazine-1,4-diamine
IUPAC Name: 1-N,4-N-bis[(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
SYSTEMATIC NAME: N1,N4-bis[(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
MOLECULAR FORMULA: C22H16N8O4
MOLECULAR WEIGHT: 456.41364
SMILES: C1=CC=C2C(=C1)C(=NN=C2NN=CC3=CC=C(C=C3)[N+](=O)[O-])NN=CC4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 7497-14-5
CAS Name: 3-nitro-N'-phenylbenzohydrazide
OPENEYE Name: 3-nitro-N'-phenyl-benzohydrazide
IUPAC Name: 3-nitro-N'-phenylbenzohydrazide
SYSTEMATIC NAME: 3-nitro-N'-phenyl-benzohydrazide
MOLECULAR FORMULA: C13H11N3O3
MOLECULAR WEIGHT: 257.24474
SMILES: C1=CC=C(C=C1)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 90563-39-6
CAS Name: 1-methyl-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea
OPENEYE Name: 1-methyl-3-[2-(6-thioxo-3H-purin-9-yl)ethyl]urea
IUPAC Name: 1-methyl-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea
SYSTEMATIC NAME: 1-methyl-3-[2-(6-sulfanylidene-3H-purin-9-yl)ethyl]urea
MOLECULAR FORMULA: C9H12N6OS
MOLECULAR WEIGHT: 252.29618
SMILES: CNC(=O)NCCN1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 667414-17-7
CAS Name: 3-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[1-(3-chlorophenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[1-(3-chloranylphenoxy)ethyl]-4-methyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C11H12ClN3OS
MOLECULAR WEIGHT: 269.75048
SMILES: CC(C1=NNC(=S)N1C)OC2=CC(=CC=C2)Cl
Structure:
CAS RN: 80141-91-9
CAS Name: (4-fluoro-2-methylphenyl)methanol
OPENEYE Name: (4-fluoro-2-methyl-phenyl)methanol
IUPAC Name: (4-fluoro-2-methylphenyl)methanol
SYSTEMATIC NAME: (4-fluoranyl-2-methyl-phenyl)methanol
MOLECULAR FORMULA: C8H9FO
MOLECULAR WEIGHT: 140.154863
SMILES: CC1=C(C=CC(=C1)F)CO
Structure:
CAS RN: 5193-48-6
CAS Name: N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide
OPENEYE Name: N,N'-bis(1,3-benzothiazol-2-yl)-3-methyl-hexanediamide
IUPAC Name: N,N'-bis(1,3-benzothiazol-2-yl)-3-methylhexanediamide
SYSTEMATIC NAME: N,N'-bis(1,3-benzothiazol-2-yl)-3-methyl-hexanediamide
MOLECULAR FORMULA: C21H20N4O2S2
MOLECULAR WEIGHT: 424.5391
SMILES: CC(CCC(=O)NC1=NC2=CC=CC=C2S1)CC(=O)NC3=NC4=CC=CC=C4S3
Structure:
CAS RN: 156867-74-2
CAS Name: 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-ethyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C13H16ClN3OS
MOLECULAR WEIGHT: 297.80364
SMILES: CCN1C(=NNC1=S)COC2=CC(=C(C(=C2)C)Cl)C
Structure:
CAS RN: 55338-73-3
CAS Name: 5-amino-2-pyridinecarbonitrile
OPENEYE Name: 5-aminopyridine-2-carbonitrile
IUPAC Name: 5-aminopyridine-2-carbonitrile
SYSTEMATIC NAME: 5-azanylpyridine-2-carbonitrile
MOLECULAR FORMULA: C6H5N3
MOLECULAR WEIGHT: 119.124
SMILES: C1=CC(=NC=C1N)C#N
Structure:
CAS RN: 83798-15-6
CAS Name: 2-(3,5-dimethylphenoxy)acetohydrazide
OPENEYE Name: 2-(3,5-dimethylphenoxy)acetohydrazide
IUPAC Name: 2-(3,5-dimethylphenoxy)acetohydrazide
SYSTEMATIC NAME: 2-(3,5-dimethylphenoxy)ethanehydrazide
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: CC1=CC(=CC(=C1)OCC(=O)NN)C
Structure:
CAS RN: 6837-92-9
CAS Name: 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide
OPENEYE Name: 3-amino-N,N-diethyl-4-hydroxy-benzenesulfonamide
IUPAC Name: 3-amino-N,N-diethyl-4-hydroxybenzenesulfonamide
SYSTEMATIC NAME: 3-azanyl-N,N-diethyl-4-oxidanyl-benzenesulfonamide
MOLECULAR FORMULA: C10H16N2O3S
MOLECULAR WEIGHT: 244.31064
SMILES: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)N
Structure:
CAS RN: 361369-12-2
CAS Name: 4-methoxy-3-[(2-methylphenyl)methoxy]benzaldehyde
OPENEYE Name: 4-methoxy-3-(o-tolylmethoxy)benzaldehyde
IUPAC Name: 4-methoxy-3-[(2-methylphenyl)methoxy]benzaldehyde
SYSTEMATIC NAME: 4-methoxy-3-[(2-methylphenyl)methoxy]benzaldehyde
MOLECULAR FORMULA: C16H16O3
MOLECULAR WEIGHT: 256.29644
SMILES: CC1=CC=CC=C1COC2=C(C=CC(=C2)C=O)OC
Structure:
CAS RN: 4783-90-8
CAS Name: 2-chloro-1-(2,4-dimethoxyphenyl)ethanone
OPENEYE Name: 2-chloro-1-(2,4-dimethoxyphenyl)ethanone
IUPAC Name: 2-chloro-1-(2,4-dimethoxyphenyl)ethanone
SYSTEMATIC NAME: 2-chloranyl-1-(2,4-dimethoxyphenyl)ethanone
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: COC1=CC(=C(C=C1)C(=O)CCl)OC
Structure:
CAS RN: 588696-82-6
CAS Name: 7-chloro-8-methyl-2-(2-pyridinyl)-4-quinolinecarboxylic acid
OPENEYE Name: 7-chloro-8-methyl-2-(2-pyridyl)quinoline-4-carboxylic acid
IUPAC Name: 7-chloro-8-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SYSTEMATIC NAME: 7-chloranyl-8-methyl-2-pyridin-2-yl-quinoline-4-carboxylic acid
MOLECULAR FORMULA: C16H11ClN2O2
MOLECULAR WEIGHT: 298.72374
SMILES: CC1=C(C=CC2=C1N=C(C=C2C(=O)O)C3=CC=CC=N3)Cl
Structure:
CAS RN: 588678-88-0
CAS Name: 2-amino-5-ethyl-4-phenyl-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-5-ethyl-4-phenyl-thiophene-3-carboxylate
IUPAC Name: methyl 2-amino-5-ethyl-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-5-ethyl-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C14H15NO2S
MOLECULAR WEIGHT: 261.3394
SMILES: CCC1=C(C(=C(S1)N)C(=O)OC)C2=CC=CC=C2
Structure:
CAS RN: 769944-51-6
CAS Name: 2-(4-chlorophenyl)piperazine
OPENEYE Name: 2-(4-chlorophenyl)piperazine
IUPAC Name: 2-(4-chlorophenyl)piperazine
SYSTEMATIC NAME: 2-(4-chlorophenyl)piperazine
MOLECULAR FORMULA: C10H13ClN2
MOLECULAR WEIGHT: 196.67662
SMILES: C1CNC(CN1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 91517-25-8
CAS Name: 2-(4-chlorophenyl)piperazine
OPENEYE Name: 2-(4-chlorophenyl)piperazine
IUPAC Name: 2-(4-chlorophenyl)piperazine
SYSTEMATIC NAME: 2-(4-chlorophenyl)piperazine
MOLECULAR FORMULA: C10H13ClN2
MOLECULAR WEIGHT: 196.67662
SMILES: C1CNC(CN1)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 68034-75-3
CAS Name: 3-(3-iodophenyl)propanoic acid
OPENEYE Name: 3-(3-iodophenyl)propanoic acid
IUPAC Name: 3-(3-iodophenyl)propanoic acid
SYSTEMATIC NAME: 3-(3-iodanylphenyl)propanoic acid
MOLECULAR FORMULA: C9H9IO2
MOLECULAR WEIGHT: 276.07103
SMILES: C1=CC(=CC(=C1)I)CCC(=O)O
Structure:
CAS RN: 1878-69-9
CAS Name: 2-(3-iodophenyl)acetic acid
OPENEYE Name: 2-(3-iodophenyl)acetic acid
IUPAC Name: 2-(3-iodophenyl)acetic acid
SYSTEMATIC NAME: 2-(3-iodanylphenyl)ethanoic acid
MOLECULAR FORMULA: C8H7IO2
MOLECULAR WEIGHT: 262.04445
SMILES: C1=CC(=CC(=C1)I)CC(=O)O
Structure:
CAS RN: 7441-43-2
CAS Name: (4-ethylphenyl)methanamine
OPENEYE Name: (4-ethylphenyl)methanamine
IUPAC Name: (4-ethylphenyl)methanamine
SYSTEMATIC NAME: (4-ethylphenyl)methanamine
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: CCC1=CC=C(C=C1)CN
Structure:
CAS RN: 25173-76-6
CAS Name: 3-(3,4-dimethylphenyl)propanoic acid
OPENEYE Name: 3-(3,4-dimethylphenyl)propanoic acid
IUPAC Name: 3-(3,4-dimethylphenyl)propanoic acid
SYSTEMATIC NAME: 3-(3,4-dimethylphenyl)propanoic acid
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=C(C=C(C=C1)CCC(=O)O)C
Structure:
CAS RN: 717-94-2
CAS Name: 3-(3,5-dimethoxyphenyl)propanoic acid
OPENEYE Name: 3-(3,5-dimethoxyphenyl)propanoic acid
IUPAC Name: 3-(3,5-dimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(3,5-dimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: COC1=CC(=CC(=C1)CCC(=O)O)OC
Structure:
CAS RN: 22174-29-4
CAS Name: 3-(2,4-dimethoxyphenyl)propanoic acid
OPENEYE Name: 3-(2,4-dimethoxyphenyl)propanoic acid
IUPAC Name: 3-(2,4-dimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(2,4-dimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: COC1=CC(=C(C=C1)CCC(=O)O)OC
Structure:
CAS RN: 7659-29-2
CAS Name: 3,5-dinitrobenzene-1,2-diol
OPENEYE Name: 3,5-dinitrobenzene-1,2-diol
IUPAC Name: 3,5-dinitrobenzene-1,2-diol
SYSTEMATIC NAME: 3,5-dinitrobenzene-1,2-diol
MOLECULAR FORMULA: C6H4N2O6
MOLECULAR WEIGHT: 200.10576
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)O)[N+](=O)[O-]
Structure:
CAS RN: 31466-47-4
CAS Name: 2-(4-methoxyphenyl)-2-(4-morpholinyl)ethanamine
OPENEYE Name: 2-(4-methoxyphenyl)-2-morpholino-ethanamine
IUPAC Name: 2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-2-morpholin-4-yl-ethanamine
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: COC1=CC=C(C=C1)C(CN)N2CCOCC2
Structure:
CAS RN: 58583-72-5
CAS Name: 1-(7-ethoxy-2-benzofuranyl)ethanone
OPENEYE Name: 1-(7-ethoxybenzofuran-2-yl)ethanone
IUPAC Name: 1-(7-ethoxy-1-benzofuran-2-yl)ethanone
SYSTEMATIC NAME: 1-(7-ethoxy-1-benzofuran-2-yl)ethanone
MOLECULAR FORMULA: C12H12O3
MOLECULAR WEIGHT: 204.22188
SMILES: CCOC1=CC=CC2=C1OC(=C2)C(=O)C
Structure:
CAS RN: 21900-43-6
CAS Name: 4-fluoro-2-methylbenzoyl chloride
OPENEYE Name: 4-fluoro-2-methyl-benzoyl chloride
IUPAC Name: 4-fluoro-2-methylbenzoyl chloride
SYSTEMATIC NAME: 4-fluoranyl-2-methyl-benzoyl chloride
MOLECULAR FORMULA: C8H6ClFO
MOLECULAR WEIGHT: 172.584043
SMILES: CC1=C(C=CC(=C1)F)C(=O)Cl
Structure:
CAS RN: 55792-61-5
CAS Name: N-(2-octoxyphenyl)acetamide
OPENEYE Name: N-(2-octoxyphenyl)acetamide
IUPAC Name: N-(2-octoxyphenyl)acetamide
SYSTEMATIC NAME: N-(2-octoxyphenyl)ethanamide
MOLECULAR FORMULA: C16H25NO2
MOLECULAR WEIGHT: 263.3752
SMILES: CCCCCCCCOC1=CC=CC=C1NC(=O)C
Structure:
CAS RN: 159302-03-1
CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid
OPENEYE Name: 2-(2-isopropyl-5-methyl-phenoxy)propanoic acid
IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)propanoic acid
SYSTEMATIC NAME: 2-(5-methyl-2-propan-2-yl-phenoxy)propanoic acid
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC1=CC(=C(C=C1)C(C)C)OC(C)C(=O)O
Structure:
CAS RN: 445264-60-8
CAS Name: 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
OPENEYE Name: 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
IUPAC Name: 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SYSTEMATIC NAME: 3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
MOLECULAR FORMULA: C12H18BNO3
MOLECULAR WEIGHT: 235.08722
SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OC
Structure:
CAS RN: 42596-46-3
CAS Name: 2-hydroxy-2-methylpropanehydrazide
OPENEYE Name: 2-hydroxy-2-methyl-propanehydrazide
IUPAC Name: 2-hydroxy-2-methylpropanehydrazide
SYSTEMATIC NAME: 2-methyl-2-oxidanyl-propanehydrazide
MOLECULAR FORMULA: C4H10N2O2
MOLECULAR WEIGHT: 118.1344
SMILES: CC(C)(C(=O)NN)O
Structure:
CAS RN: 771573-20-7
CAS Name: (2,6-difluoro-4-methoxyphenyl)methanamine
OPENEYE Name: (2,6-difluoro-4-methoxy-phenyl)methanamine
IUPAC Name: (2,6-difluoro-4-methoxyphenyl)methanamine
SYSTEMATIC NAME: [2,6-bis(fluoranyl)-4-methoxy-phenyl]methanamine
MOLECULAR FORMULA: C8H9F2NO
MOLECULAR WEIGHT: 173.159966
SMILES: COC1=CC(=C(C(=C1)F)CN)F
Structure:
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