Product OPENEYE NAME: 1,4-disec-butylbenzene
CAS Name: 1,4-di(butan-2-yl)benzene
IUPAC NAME: 1,4-di(butan-2-yl)benzene
SYSTEMATIC NAME: 1,4-di(butan-2-yl)benzene
MOLECULAR FORMULA: C14H22
MOLECULAR WEIGHT: 190.32448
SMILES: CCC(C)C1=CC=C(C=C1)C(C)CC
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Product OPENEYE NAME: N2-isopropyl-N4-methyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CAS Name: N4-methyl-6-(methylthio)-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
IUPAC NAME: 4-N-methyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N4-methyl-6-methylsulfanyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C8H15N5S
MOLECULAR WEIGHT: 213.3032
SMILES: CC(C)NC1=NC(=NC(=N1)NC)SC
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Product OPENEYE NAME: N2,N4-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
CAS Name: N2,N4-diethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine
IUPAC NAME: 2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2,N4-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C8H15N5S
MOLECULAR WEIGHT: 213.3032
SMILES: CCNC1=NC(=NC(=N1)SC)NCC
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Product OPENEYE NAME: 1,1-diethyl-3-phenyl-urea
CAS Name: 1,1-diethyl-3-phenylurea
IUPAC NAME: 1,1-diethyl-3-phenylurea
SYSTEMATIC NAME: 1,1-diethyl-3-phenyl-urea
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CCN(CC)C(=O)NC1=CC=CC=C1
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Product OPENEYE NAME: 1,4-bis(isocyanatomethyl)benzene
CAS Name: 1,4-bis(isocyanatomethyl)benzene
IUPAC NAME: 1,4-bis(isocyanatomethyl)benzene
SYSTEMATIC NAME: 1,4-bis(isocyanatomethyl)benzene
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C1=CC(=CC=C1CN=C=O)CN=C=O
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Product OPENEYE NAME: dibenzothiophene 5,5-dioxide
CAS Name: dibenzothiophene 5,5-dioxide
IUPAC NAME: dibenzothiophene 5,5-dioxide
SYSTEMATIC NAME: dibenzothiophene 5,5-dioxide
MOLECULAR FORMULA: C12H8O2S
MOLECULAR WEIGHT: 216.25572
SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3S2(=O)=O
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Product OPENEYE NAME: ethyl 2-(2-methyl-5-nitro-imidazol-1-yl)acetate
CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)acetic acid ethyl ester
IUPAC NAME: ethyl 2-(2-methyl-5-nitroimidazol-1-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoate
MOLECULAR FORMULA: C8H11N3O4
MOLECULAR WEIGHT: 213.19064
SMILES: CCOC(=O)CN1C(=NC=C1[N+](=O)[O-])C
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Product OPENEYE NAME: benzothiophen-4-yl N,N-dimethylcarbamate
CAS Name: N,N-dimethylcarbamic acid 1-benzothiophen-4-yl ester
IUPAC NAME: 1-benzothiophen-4-yl N,N-dimethylcarbamate
SYSTEMATIC NAME: 1-benzothiophen-4-yl N,N-dimethylcarbamate
MOLECULAR FORMULA: C11H11NO2S
MOLECULAR WEIGHT: 221.27554
SMILES: CN(C)C(=O)OC1=C2C=CSC2=CC=C1
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Product OPENEYE NAME: 6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
CAS Name: 6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
IUPAC NAME: 6-chloro-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
SYSTEMATIC NAME: 6-chloranyl-2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
MOLECULAR FORMULA: C10H9Cl2NO2
MOLECULAR WEIGHT: 246.08996
SMILES: C1=CC2=C(C=C1Cl)C(=O)NC(O2)CCCl
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Product OPENEYE NAME: dimethyl-[(5-phenylisoxazol-3-yl)methyl]ammonium chloride
CAS Name: dimethyl-[(5-phenyl-3-isoxazolyl)methyl]ammonium chloride
IUPAC NAME: dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]azanium chloride
MOLECULAR FORMULA: C12H15ClN2O
MOLECULAR WEIGHT: 238.7133
SMILES: C[NH+](C)CC1=NOC(=C1)C2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: N,N-dimethyl-1-(5-phenylisoxazol-3-yl)methanamine
CAS Name: N,N-dimethyl-1-(5-phenyl-3-isoxazolyl)methanamine
IUPAC NAME: N,N-dimethyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
SYSTEMATIC NAME: N,N-dimethyl-1-(5-phenyl-1,2-oxazol-3-yl)methanamine
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CN(C)CC1=NOC(=C1)C2=CC=CC=C2
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