CAS RN: 32550-72-4
CAS Name: 3,6-diphenyl-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazole
OPENEYE Name: 3,6-diphenyl-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazole
IUPAC Name: 3,6-diphenyl-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazole
SYSTEMATIC NAME: 3,6-diphenyl-[1,2,4]triazolo[3,4-b][1,3,4]oxadiazole
MOLECULAR FORMULA: C15H10N4O
MOLECULAR WEIGHT: 262.2661
SMILES: C1=CC=C(C=C1)C2=NN=C3N2N=C(O3)C4=CC=CC=C4
Structure:
CAS RN: 52492-53-2
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2,4-dihydropyrazolo[4,3-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C10H12N4O6
MOLECULAR WEIGHT: 284.22548
SMILES: C(C1C(C(C(O1)C2=C3C(=NN2)C(=O)NC(=O)N3)O)O)O
Structure:
CAS RN: 1889-05-0
CAS Name: [5-(aminomethyl)-2,4-dimethylphenyl]methanamine
OPENEYE Name: [5-(aminomethyl)-2,4-dimethyl-phenyl]methanamine
IUPAC Name: [5-(aminomethyl)-2,4-dimethylphenyl]methanamine
SYSTEMATIC NAME: [5-(aminomethyl)-2,4-dimethyl-phenyl]methanamine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CC1=CC(=C(C=C1CN)CN)C
Structure:
CAS RN: 92000-99-2
CAS Name: 2-(1-cyclopentenyl)pentanoic acid
OPENEYE Name: 2-(cyclopenten-1-yl)pentanoic acid
IUPAC Name: 2-(cyclopenten-1-yl)pentanoic acid
SYSTEMATIC NAME: 2-(cyclopenten-1-yl)pentanoic acid
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CCCC(C1=CCCC1)C(=O)O
Structure:
CAS RN: 14427-23-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H4Cl4O6
MOLECULAR WEIGHT: 385.96856
SMILES: C12C(C(=O)OC1=O)C3(C4C(C2(C(=C3Cl)Cl)Cl)C(=O)OC4=O)Cl
Structure:
CAS RN: 3453-84-7
CAS Name: 2,4,5-trimethylbenzenesulfonic acid
OPENEYE Name: 2,4,5-trimethylbenzenesulfonic acid
IUPAC Name: 2,4,5-trimethylbenzenesulfonic acid
SYSTEMATIC NAME: 2,4,5-trimethylbenzenesulfonic acid
MOLECULAR FORMULA: C9H12O3S
MOLECULAR WEIGHT: 200.25478
SMILES: CC1=CC(=C(C=C1C)S(=O)(=O)O)C
Structure:
CAS RN: 23877-94-3
CAS Name: 2-methyl-5-nitroquinoline
OPENEYE Name: 2-methyl-5-nitro-quinoline
IUPAC Name: 2-methyl-5-nitroquinoline
SYSTEMATIC NAME: 2-methyl-5-nitro-quinoline
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: CC1=NC2=C(C=C1)C(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 713-52-0
CAS Name: 3-hydroxy-4-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 3-hydroxy-4-nitro-benzoate
IUPAC Name: methyl 3-hydroxy-4-nitrobenzoate
SYSTEMATIC NAME: methyl 4-nitro-3-oxidanyl-benzoate
MOLECULAR FORMULA: C8H7NO5
MOLECULAR WEIGHT: 197.14488
SMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O
Structure:
CAS RN: 71172-56-0
CAS Name: 2-(2-methoxyethyl)-6-methylpyridine
OPENEYE Name: 2-(2-methoxyethyl)-6-methyl-pyridine
IUPAC Name: 2-(2-methoxyethyl)-6-methylpyridine
SYSTEMATIC NAME: 2-(2-methoxyethyl)-6-methyl-pyridine
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: CC1=NC(=CC=C1)CCOC
Structure:
CAS RN: 5694-68-8
CAS Name: 1,3-dioxolan-2-ylmethanol
OPENEYE Name: 1,3-dioxolan-2-ylmethanol
IUPAC Name: 1,3-dioxolan-2-ylmethanol
SYSTEMATIC NAME: 1,3-dioxolan-2-ylmethanol
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: C1COC(O1)CO
Structure:
CAS RN: 1613-46-3
CAS Name: 1-(propylthio)butane
OPENEYE Name: 1-propylsulfanylbutane
IUPAC Name: 1-propylsulfanylbutane
SYSTEMATIC NAME: 1-propylsulfanylbutane
MOLECULAR FORMULA: C7H16S
MOLECULAR WEIGHT: 132.26694
SMILES: CCCCSCCC
Structure:
CAS RN: 16733-28-1
CAS Name: 4,4-bis(3,5-dichloro-4-hydroxyphenyl)pentanoic acid
OPENEYE Name: 4,4-bis(3,5-dichloro-4-hydroxy-phenyl)pentanoic acid
IUPAC Name: 4,4-bis(3,5-dichloro-4-hydroxyphenyl)pentanoic acid
SYSTEMATIC NAME: 4,4-bis[3,5-bis(chloranyl)-4-oxidanyl-phenyl]pentanoic acid
MOLECULAR FORMULA: C17H14Cl4O4
MOLECULAR WEIGHT: 424.10266
SMILES: CC(CCC(=O)O)(C1=CC(=C(C(=C1)Cl)O)Cl)C2=CC(=C(C(=C2)Cl)O)Cl
Structure:
CAS RN: 14468-52-1
CAS Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dimethyl-1H-benzimidazole
OPENEYE Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dimethyl-1H-benzimidazole
IUPAC Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dimethyl-1H-benzimidazole
SYSTEMATIC NAME: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-5,6-dimethyl-1H-benzimidazole
MOLECULAR FORMULA: C18H18N4
MOLECULAR WEIGHT: 290.36232
SMILES: CC1=CC2=C(C=C1C)N=C(N2)C3=NC4=C(N3)C=C(C(=C4)C)C
Structure:
CAS RN: 6739-79-3
CAS Name: 4-(2-oxo-1-pyrrolidinyl)butanamide
OPENEYE Name: 4-(2-oxopyrrolidin-1-yl)butanamide
IUPAC Name: 4-(2-oxopyrrolidin-1-yl)butanamide
SYSTEMATIC NAME: 4-(2-oxidanylidenepyrrolidin-1-yl)butanamide
MOLECULAR FORMULA: C8H14N2O2
MOLECULAR WEIGHT: 170.20896
SMILES: C1CC(=O)N(C1)CCCC(=O)N
Structure:
CAS RN: 55712-60-2
CAS Name: 3-(2-naphthalenyl)-1-benzothiophene
OPENEYE Name: 3-(2-naphthyl)benzothiophene
IUPAC Name: 3-naphthalen-2-yl-1-benzothiophene
SYSTEMATIC NAME: 3-naphthalen-2-yl-1-benzothiophene
MOLECULAR FORMULA: C18H12S
MOLECULAR WEIGHT: 260.35288
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CSC4=CC=CC=C43
Structure:
CAS RN: 1859-93-4
CAS Name: 2-methyl-3-propyl-1H-indole
OPENEYE Name: 2-methyl-3-propyl-1H-indole
IUPAC Name: 2-methyl-3-propyl-1H-indole
SYSTEMATIC NAME: 2-methyl-3-propyl-1H-indole
MOLECULAR FORMULA: C12H15N
MOLECULAR WEIGHT: 173.2542
SMILES: CCCC1=C(NC2=CC=CC=C21)C
Structure:
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