CAS RN: 7512-74-5
CAS Name: 2-(2-amino-4,7-dioxo-1,8-dihydropteridin-6-yl)acetic acid
OPENEYE Name: 2-(2-amino-4,7-dioxo-1,8-dihydropteridin-6-yl)acetic acid
IUPAC Name: 2-(2-amino-4,7-dioxo-1,8-dihydropteridin-6-yl)acetic acid
SYSTEMATIC NAME: 2-[2-azanyl-4,7-bis(oxidanylidene)-1,8-dihydropteridin-6-yl]ethanoic acid
MOLECULAR FORMULA: C8H7N5O4
MOLECULAR WEIGHT: 237.17228
SMILES: C(C1=NC2=C(NC1=O)NC(=NC2=O)N)C(=O)O
Structure:
CAS RN: 712-38-9
CAS Name: 2-amino-6-methyl-1,8-dihydropteridine-4,7-dione
OPENEYE Name: 2-amino-6-methyl-1,8-dihydropteridine-4,7-dione
IUPAC Name: 2-amino-6-methyl-1,8-dihydropteridine-4,7-dione
SYSTEMATIC NAME: 2-azanyl-6-methyl-1,8-dihydropteridine-4,7-dione
MOLECULAR FORMULA: C7H7N5O2
MOLECULAR WEIGHT: 193.16278
SMILES: CC1=NC2=C(NC1=O)NC(=NC2=O)N
Structure:
CAS RN: 7466-69-5
CAS Name: 6-nitro-3-(2-oxopropyl)-1,3-benzoxazine-2,4-dione
OPENEYE Name: 3-acetonyl-6-nitro-1,3-benzoxazine-2,4-dione
IUPAC Name: 6-nitro-3-(2-oxopropyl)-1,3-benzoxazine-2,4-dione
SYSTEMATIC NAME: 6-nitro-3-(2-oxidanylidenepropyl)-1,3-benzoxazine-2,4-dione
MOLECULAR FORMULA: C11H8N2O6
MOLECULAR WEIGHT: 264.19102
SMILES: CC(=O)CN1C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O
Structure:
CAS RN: 7466-67-3
CAS Name: 3-[[4-(4-morpholinyl)phenyl]iminomethyl]phenol
OPENEYE Name: 3-[(4-morpholinophenyl)iminomethyl]phenol
IUPAC Name: 3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
SYSTEMATIC NAME: 3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
MOLECULAR FORMULA: C17H18N2O2
MOLECULAR WEIGHT: 282.33702
SMILES: C1COCCN1C2=CC=C(C=C2)N=CC3=CC(=CC=C3)O
Structure:
CAS RN: 7466-66-2
CAS Name: 2-hexyl-N-[(3-nitrophenyl)methylideneamino]-4-quinolinecarboxamide
OPENEYE Name: 2-hexyl-N-[(3-nitrophenyl)methyleneamino]quinoline-4-carboxamide
IUPAC Name: 2-hexyl-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
SYSTEMATIC NAME: 2-hexyl-N-[(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
MOLECULAR FORMULA: C23H24N4O3
MOLECULAR WEIGHT: 404.46166
SMILES: CCCCCCC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 7466-65-1
CAS Name: N-[(2-methoxyphenyl)methylideneamino]-2-propyl-4-quinolinecarboxamide
OPENEYE Name: N-[(2-methoxyphenyl)methyleneamino]-2-propyl-quinoline-4-carboxamide
IUPAC Name: N-[(2-methoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
SYSTEMATIC NAME: N-[(2-methoxyphenyl)methylideneamino]-2-propyl-quinoline-4-carboxamide
MOLECULAR FORMULA: C21H21N3O2
MOLECULAR WEIGHT: 347.41034
SMILES: CCCC1=NC2=CC=CC=C2C(=C1)C(=O)NN=CC3=CC=CC=C3OC
Structure:
CAS RN: 7466-63-9
CAS Name: 2-propyl-4-quinolinecarbohydrazide
OPENEYE Name: 2-propylquinoline-4-carbohydrazide
IUPAC Name: 2-propylquinoline-4-carbohydrazide
SYSTEMATIC NAME: 2-propylquinoline-4-carbohydrazide
MOLECULAR FORMULA: C13H15N3O
MOLECULAR WEIGHT: 229.2777
SMILES: CCCC1=NC2=CC=CC=C2C(=C1)C(=O)NN
Structure:
CAS RN: 7466-62-8
CAS Name: 2-ethyl-4-quinolinecarbohydrazide
OPENEYE Name: 2-ethylquinoline-4-carbohydrazide
IUPAC Name: 2-ethylquinoline-4-carbohydrazide
SYSTEMATIC NAME: 2-ethylquinoline-4-carbohydrazide
MOLECULAR FORMULA: C12H13N3O
MOLECULAR WEIGHT: 215.25112
SMILES: CCC1=NC2=CC=CC=C2C(=C1)C(=O)NN
Structure:
CAS RN: 28804-47-9
CAS Name: phenylmethanesulfonic acid methyl ester
OPENEYE Name: methyl phenylmethanesulfonate
IUPAC Name: methyl phenylmethanesulfonate
SYSTEMATIC NAME: methyl phenylmethanesulfonate
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: COS(=O)(=O)CC1=CC=CC=C1
Structure:
CAS RN: 5877-96-3
CAS Name: phenylmethanesulfonic acid methyl ester
OPENEYE Name: methyl phenylmethanesulfonate
IUPAC Name: methyl phenylmethanesulfonate
SYSTEMATIC NAME: methyl phenylmethanesulfonate
MOLECULAR FORMULA: C8H10O3S
MOLECULAR WEIGHT: 186.2282
SMILES: COS(=O)(=O)CC1=CC=CC=C1
Structure:
CAS RN: 4720-17-6
CAS Name: 2-methyl-5-phenyl-1,3,4,9b-tetrahydroindeno[1,2-c]pyridine
OPENEYE Name: 2-methyl-5-phenyl-1,3,4,9b-tetrahydroindeno[1,2-c]pyridine
IUPAC Name: 2-methyl-5-phenyl-1,3,4,9b-tetrahydroindeno[1,2-c]pyridine
SYSTEMATIC NAME: 2-methyl-5-phenyl-1,3,4,9b-tetrahydroindeno[1,2-c]pyridine
MOLECULAR FORMULA: C19H19N
MOLECULAR WEIGHT: 261.36086
SMILES: CN1CCC2=C(C3=CC=CC=C3C2C1)C4=CC=CC=C4
Structure:
CAS RN: 7466-59-3
CAS Name: 2,3-dimethyl-3-phenylindole
OPENEYE Name: 2,3-dimethyl-3-phenyl-indole
IUPAC Name: 2,3-dimethyl-3-phenylindole
SYSTEMATIC NAME: 2,3-dimethyl-3-phenyl-indole
MOLECULAR FORMULA: C16H15N
MOLECULAR WEIGHT: 221.297
SMILES: CC1=NC2=CC=CC=C2C1(C)C3=CC=CC=C3
Structure:
CAS RN: 4580-87-4
CAS Name: 2-methyl-5-phenyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
OPENEYE Name: 2-methyl-5-phenyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
IUPAC Name: 2-methyl-5-phenyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
SYSTEMATIC NAME: 2-methyl-5-phenyl-3,4,4a,9b-tetrahydro-1H-indeno[1,2-c]pyridin-5-ol
MOLECULAR FORMULA: C19H21NO
MOLECULAR WEIGHT: 279.37614
SMILES: CN1CCC2C(C1)C3=CC=CC=C3C2(C4=CC=CC=C4)O
Structure:
CAS RN: 4676-55-5
CAS Name: 3,4-bis(chloromethyl)-2,5-diphenylfuran
OPENEYE Name: 3,4-bis(chloromethyl)-2,5-diphenyl-furan
IUPAC Name: 3,4-bis(chloromethyl)-2,5-diphenylfuran
SYSTEMATIC NAME: 3,4-bis(chloromethyl)-2,5-diphenyl-furan
MOLECULAR FORMULA: C18H14Cl2O
MOLECULAR WEIGHT: 317.20916
SMILES: C1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=CC=C3)CCl)CCl
Structure:
CAS RN: 7468-84-0
CAS Name: 1-(4,5-dihydroxy-6-methyl-2-oxanyl)-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-(4,5-dihydroxy-6-methyloxan-2-yl)-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-1-[6-methyl-4,5-bis(oxidanyl)oxan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H16N2O5
MOLECULAR WEIGHT: 256.25514
SMILES: CC1C(C(CC(O1)N2C=C(C(=O)NC2=O)C)O)O
Structure:
CAS RN: 6504-64-9
CAS Name: 6-chloro-9-(methoxymethyl)purine
OPENEYE Name: 6-chloro-9-(methoxymethyl)purine
IUPAC Name: 6-chloro-9-(methoxymethyl)purine
SYSTEMATIC NAME: 6-chloranyl-9-(methoxymethyl)purine
MOLECULAR FORMULA: C7H7ClN4O
MOLECULAR WEIGHT: 198.60968
SMILES: COCN1C=NC2=C1N=CN=C2Cl
Structure:
CAS RN: 7466-55-9
CAS Name: 3-(4-methoxyphenyl)imino-1-isobenzofuranone
OPENEYE Name: 3-(4-methoxyphenyl)iminoisobenzofuran-1-one
IUPAC Name: 3-(4-methoxyphenyl)imino-2-benzofuran-1-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)imino-2-benzofuran-1-one
MOLECULAR FORMULA: C15H11NO3
MOLECULAR WEIGHT: 253.25274
SMILES: COC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=O)O2
Structure:
CAS RN: 13137-40-1
CAS Name: 9-cyclohexyl-9-xanthenol
OPENEYE Name: 9-cyclohexylxanthen-9-ol
IUPAC Name: 9-cyclohexylxanthen-9-ol
SYSTEMATIC NAME: 9-cyclohexylxanthen-9-ol
MOLECULAR FORMULA: C19H20O2
MOLECULAR WEIGHT: 280.3609
SMILES: C1CCC(CC1)C2(C3=CC=CC=C3OC4=CC=CC=C42)O
Structure:
CAS RN: 7468-83-9
CAS Name: 1-(1-hydroxy-2-phenanthrenyl)-1-propanone
OPENEYE Name: 1-(1-hydroxy-2-phenanthryl)propan-1-one
IUPAC Name: 1-(1-hydroxyphenanthren-2-yl)propan-1-one
SYSTEMATIC NAME: 1-(1-oxidanylphenanthren-2-yl)propan-1-one
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: CCC(=O)C1=C(C2=C(C=C1)C3=CC=CC=C3C=C2)O
Structure:
CAS RN: 7466-52-6
CAS Name: 1-[7-hydroxy-6-(1-oxobutyl)-9,10-dihydrophenanthren-1-yl]-1-butanone
OPENEYE Name: 1-(6-butanoyl-7-hydroxy-9,10-dihydrophenanthren-1-yl)butan-1-one
IUPAC Name: 1-(6-butanoyl-7-hydroxy-9,10-dihydrophenanthren-1-yl)butan-1-one
SYSTEMATIC NAME: 1-(6-butanoyl-7-oxidanyl-9,10-dihydrophenanthren-1-yl)butan-1-one
MOLECULAR FORMULA: C22H24O3
MOLECULAR WEIGHT: 336.42416
SMILES: CCCC(=O)C1=CC=CC2=C1CCC3=CC(=C(C=C32)C(=O)CCC)O
Structure:
CAS RN: 7466-51-5
CAS Name: 1-(7-hydroxy-9,10-dihydrophenanthren-2-yl)-1-butanone
OPENEYE Name: 1-(7-hydroxy-9,10-dihydrophenanthren-2-yl)butan-1-one
IUPAC Name: 1-(7-hydroxy-9,10-dihydrophenanthren-2-yl)butan-1-one
SYSTEMATIC NAME: 1-(7-oxidanyl-9,10-dihydrophenanthren-2-yl)butan-1-one
MOLECULAR FORMULA: C18H18O2
MOLECULAR WEIGHT: 266.33432
SMILES: CCCC(=O)C1=CC2=C(C=C1)C3=C(CC2)C=C(C=C3)O
Structure:
CAS RN: 7466-50-4
CAS Name: 3-phenanthrenecarboxaldehyde
OPENEYE Name: phenanthrene-3-carbaldehyde
IUPAC Name: phenanthrene-3-carbaldehyde
SYSTEMATIC NAME: phenanthrene-3-carbaldehyde
MOLECULAR FORMULA: C15H10O
MOLECULAR WEIGHT: 206.2393
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C=O
Structure:
CAS RN: 75908-77-9
CAS Name: 2,6-dichloro-4-(2-methylbutan-2-yl)phenol
OPENEYE Name: 2,6-dichloro-4-(1,1-dimethylpropyl)phenol
IUPAC Name: 2,6-dichloro-4-(2-methylbutan-2-yl)phenol
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-(2-methylbutan-2-yl)phenol
MOLECULAR FORMULA: C11H14Cl2O
MOLECULAR WEIGHT: 233.13426
SMILES: CCC(C)(C)C1=CC(=C(C(=C1)Cl)O)Cl
Structure:
CAS RN: 26628-14-8
CAS Name: propanoic acid (2,4-dichlorophenyl) ester
OPENEYE Name: (2,4-dichlorophenyl) propanoate
IUPAC Name: (2,4-dichlorophenyl) propanoate
SYSTEMATIC NAME: (2,4-dichlorophenyl) propanoate
MOLECULAR FORMULA: C9H8Cl2O2
MOLECULAR WEIGHT: 219.06462
SMILES: CCC(=O)OC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 7466-47-9
CAS Name: 2-[2-(2-methylanilino)-1-benzo[g]benzimidazolyl]phenol
OPENEYE Name: 2-[2-(2-methylanilino)benzo[g]benzimidazol-1-yl]phenol
IUPAC Name: 2-[2-(2-methylanilino)benzo[g]benzimidazol-1-yl]phenol
SYSTEMATIC NAME: 2-[2-[(2-methylphenyl)amino]benzo[g]benzimidazol-1-yl]phenol
MOLECULAR FORMULA: C24H19N3O
MOLECULAR WEIGHT: 365.42716
SMILES: CC1=CC=CC=C1NC2=NC3=C(N2C4=CC=CC=C4O)C5=CC=CC=C5C=C3
Structure:
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