CAS RN: 3283-07-6
CAS Name: 1,1-diphenylprop-2-enylbenzene
OPENEYE Name: 1,1-diphenylallylbenzene
IUPAC Name: 1,1-diphenylprop-2-enylbenzene
SYSTEMATIC NAME: 1,1-diphenylprop-2-enylbenzene
MOLECULAR FORMULA: C21H18
MOLECULAR WEIGHT: 270.36762
SMILES: C=CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 136242-90-5
CAS Name: 4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]-3,5-dimethylbenzoic acid
OPENEYE Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]-3,5-dimethyl-benzoic acid
IUPAC Name: 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]-3,5-dimethylbenzoic acid
SYSTEMATIC NAME: 4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-3,5-dimethyl-benzoic acid
MOLECULAR FORMULA: C17H19N7O2
MOLECULAR WEIGHT: 353.37846
SMILES: CC1=CC(=CC(=C1N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C)C(=O)O
Structure:
CAS RN: 29078-50-0
CAS Name: 6-chloro-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
OPENEYE Name: 6-chloro-1,2,3,4-tetrahydrobenzothiopheno[2,3-c]pyridine
IUPAC Name: 6-chloro-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
SYSTEMATIC NAME: 6-chloranyl-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine
MOLECULAR FORMULA: C11H10ClNS
MOLECULAR WEIGHT: 223.7218
SMILES: C1CNCC2=C1C3=C(S2)C=CC(=C3)Cl
Structure:
CAS RN: 50507-98-7
CAS Name: 1-(6-nitro-1H-indol-3-yl)ethanone
OPENEYE Name: 1-(6-nitro-1H-indol-3-yl)ethanone
IUPAC Name: 1-(6-nitro-1H-indol-3-yl)ethanone
SYSTEMATIC NAME: 1-(6-nitro-1H-indol-3-yl)ethanone
MOLECULAR FORMULA: C10H8N2O3
MOLECULAR WEIGHT: 204.18212
SMILES: CC(=O)C1=CNC2=C1C=CC(=C2)[N+](=O)[O-]
Structure:
CAS RN: 35071-66-0
CAS Name: 1,2-dimethyl-3,5-dinitroindole
OPENEYE Name: 1,2-dimethyl-3,5-dinitro-indole
IUPAC Name: 1,2-dimethyl-3,5-dinitroindole
SYSTEMATIC NAME: 1,2-dimethyl-3,5-dinitro-indole
MOLECULAR FORMULA: C10H9N3O4
MOLECULAR WEIGHT: 235.19616
SMILES: CC1=C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3497-06-1
CAS Name: 1,2-dimethyl-3,4,6-trinitroindole
OPENEYE Name: 1,2-dimethyl-3,4,6-trinitro-indole
IUPAC Name: 1,2-dimethyl-3,4,6-trinitroindole
SYSTEMATIC NAME: 1,2-dimethyl-3,4,6-trinitro-indole
MOLECULAR FORMULA: C10H8N4O6
MOLECULAR WEIGHT: 280.19372
SMILES: CC1=C(C2=C(C=C(C=C2N1C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 33360-22-4
CAS Name: 7-(4-morpholinyl)-2-phenyloxazolo[5,4-d]pyrimidine
OPENEYE Name: 7-morpholino-2-phenyl-oxazolo[5,4-d]pyrimidine
IUPAC Name: 7-morpholin-4-yl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
SYSTEMATIC NAME: 7-morpholin-4-yl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
MOLECULAR FORMULA: C15H14N4O2
MOLECULAR WEIGHT: 282.29726
SMILES: C1COCCN1C2=C3C(=NC=N2)OC(=N3)C4=CC=CC=C4
Structure:
CAS RN: 25680-42-6
CAS Name: 2-phenyl-7-oxazolo[5,4-d]pyrimidinamine
OPENEYE Name: 2-phenyloxazolo[5,4-d]pyrimidin-7-amine
IUPAC Name: 2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SYSTEMATIC NAME: 2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
MOLECULAR FORMULA: C11H8N4O
MOLECULAR WEIGHT: 212.20742
SMILES: C1=CC=C(C=C1)C2=NC3=C(N=CN=C3O2)N
Structure:
CAS RN: 25680-37-9
CAS Name: 2-methyl-7-oxazolo[5,4-d]pyrimidinamine
OPENEYE Name: 2-methyloxazolo[5,4-d]pyrimidin-7-amine
IUPAC Name: 2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SYSTEMATIC NAME: 2-methyl-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
MOLECULAR FORMULA: C6H6N4O
MOLECULAR WEIGHT: 150.13804
SMILES: CC1=NC2=C(N=CN=C2O1)N
Structure:
CAS RN: 24722-66-5
CAS Name: (4-isothiocyanatophenyl)-(4-nitrophenyl)diazene
OPENEYE Name: (4-isothiocyanatophenyl)-(4-nitrophenyl)diazene
IUPAC Name: (4-isothiocyanatophenyl)-(4-nitrophenyl)diazene
SYSTEMATIC NAME: (4-isothiocyanatophenyl)-(4-nitrophenyl)diazene
MOLECULAR FORMULA: C13H8N4O2S
MOLECULAR WEIGHT: 284.29322
SMILES: C1=CC(=CC=C1N=C=S)N=NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 28455-14-3
CAS Name: 1-bromo-4-[(4-bromophenyl)-isothiocyanatomethyl]benzene
OPENEYE Name: 1-bromo-4-[(4-bromophenyl)-isothiocyanato-methyl]benzene
IUPAC Name: 1-bromo-4-[(4-bromophenyl)-isothiocyanatomethyl]benzene
SYSTEMATIC NAME: 1-bromanyl-4-[(4-bromophenyl)-isothiocyanato-methyl]benzene
MOLECULAR FORMULA: C14H9Br2NS
MOLECULAR WEIGHT: 383.10096
SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)N=C=S)Br
Structure:
CAS RN: 36391-22-7
CAS Name: 1,1-dibromo-8b-ethoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1aH-cyclopropa[d][1]benzazepine
OPENEYE Name: 1,1-dibromo-8b-ethoxy-4-(p-tolylsulfonyl)-2,3-dihydro-1aH-cyclopropa[d][1]benzazepine
IUPAC Name: 1,1-dibromo-8b-ethoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1aH-cyclopropa[d][1]benzazepine
SYSTEMATIC NAME: 1,1-bis(bromanyl)-8b-ethoxy-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1aH-cyclopropa[d][1]benzazepine
MOLECULAR FORMULA: C20H21Br2NO3S
MOLECULAR WEIGHT: 515.25864
SMILES: CCOC12C(C1(Br)Br)CCN(C3=CC=CC=C23)S(=O)(=O)C4=CC=C(C=C4)C
Structure:
CAS RN: 41373-37-9
CAS Name: 8,8,10-trimethyl-7H-1,7-phenanthroline
OPENEYE Name: 8,8,10-trimethyl-7H-1,7-phenanthroline
IUPAC Name: 8,8,10-trimethyl-7H-1,7-phenanthroline
SYSTEMATIC NAME: 8,8,10-trimethyl-7H-1,7-phenanthroline
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CC1=CC(NC2=C1C3=C(C=CC=N3)C=C2)(C)C
Structure:
CAS RN: 11048-15-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H12O6
MOLECULAR WEIGHT: 300.26288
SMILES: CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O
Structure:
CAS RN: 35421-59-1
CAS Name: 1-(6-bromo-1,2-dihydroacenaphthylen-3-yl)ethanone
OPENEYE Name: 1-(6-bromo-1,2-dihydroacenaphthylen-3-yl)ethanone
IUPAC Name: 1-(6-bromo-1,2-dihydroacenaphthylen-3-yl)ethanone
SYSTEMATIC NAME: 1-(6-bromanyl-1,2-dihydroacenaphthylen-3-yl)ethanone
MOLECULAR FORMULA: C14H11BrO
MOLECULAR WEIGHT: 275.14054
SMILES: CC(=O)C1=C2CCC3=C2C(=C(C=C3)Br)C=C1
Structure:
CAS RN: 35420-95-2
CAS Name: 1-(5-chloro-1,2-dihydroacenaphthylen-3-yl)ethanone
OPENEYE Name: 1-(5-chloro-1,2-dihydroacenaphthylen-3-yl)ethanone
IUPAC Name: 1-(5-chloro-1,2-dihydroacenaphthylen-3-yl)ethanone
SYSTEMATIC NAME: 1-(5-chloranyl-1,2-dihydroacenaphthylen-3-yl)ethanone
MOLECULAR FORMULA: C14H11ClO
MOLECULAR WEIGHT: 230.68954
SMILES: CC(=O)C1=CC(=C2C=CC=C3C2=C1CC3)Cl
Structure:
CAS RN: 25781-99-1
CAS Name: 3-(2-hydroxyethoxy)benzoic acid
OPENEYE Name: 3-(2-hydroxyethoxy)benzoic acid
IUPAC Name: 3-(2-hydroxyethoxy)benzoic acid
SYSTEMATIC NAME: 3-(2-hydroxyethyloxy)benzoic acid
MOLECULAR FORMULA: C9H10O4
MOLECULAR WEIGHT: 182.1733
SMILES: C1=CC(=CC(=C1)OCCO)C(=O)O
Structure:
CAS RN: 21521-87-9
CAS Name: 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
OPENEYE Name: 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
IUPAC Name: 2-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamide
MOLECULAR FORMULA: C5H6ClN3OS
MOLECULAR WEIGHT: 191.63864
SMILES: CC1=NN=C(S1)NC(=O)CCl
Structure:
CAS RN: 35327-73-2
CAS Name: 5,6-dichloro-3-hydroxy-2-imino-4-pyrimidinamine
OPENEYE Name: 5,6-dichloro-3-hydroxy-2-imino-pyrimidin-4-amine
IUPAC Name: 5,6-dichloro-3-hydroxy-2-iminopyrimidin-4-amine
SYSTEMATIC NAME: 2-azanylidene-5,6-bis(chloranyl)-3-oxidanyl-pyrimidin-4-amine
MOLECULAR FORMULA: C4H4Cl2N4O
MOLECULAR WEIGHT: 195.00676
SMILES: C1(=C(N(C(=N)N=C1Cl)O)N)Cl
Structure:
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