Product OPENEYE NAME: benzhydryl 2-bromopropanoate
CAS Name: 2-bromopropanoic acid (diphenylmethyl) ester
IUPAC NAME: benzhydryl 2-bromopropanoate
SYSTEMATIC NAME: (diphenylmethyl) 2-bromanylpropanoate
MOLECULAR FORMULA: C16H15BrO2
MOLECULAR WEIGHT: 319.1931
SMILES: CC(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)Br
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Product OPENEYE NAME: 7H-naphtho[1,2-a]indolizin-8-ium
CAS Name: 7H-naphtho[1,2-a]indolizin-8-ium
IUPAC NAME: 7H-naphtho[1,2-a]indolizin-8-ium
SYSTEMATIC NAME: 7H-naphtho[1,2-a]indolizin-8-ium
MOLECULAR FORMULA: C16H12N+
MOLECULAR WEIGHT: 218.27318
SMILES: C1C2=C(C3=CC=CC=C3C=C2)C4=CC=CC=[N+]41
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Product OPENEYE NAME: N-[3-[(6-benzylsulfanylpurin-9-yl)methyl]phenyl]formamide
CAS Name: N-[3-[[6-(phenylmethylthio)-9-purinyl]methyl]phenyl]formamide
IUPAC NAME: N-[3-[(6-benzylsulfanylpurin-9-yl)methyl]phenyl]formamide
SYSTEMATIC NAME: N-[3-[[6-(phenylmethylsulfanyl)purin-9-yl]methyl]phenyl]methanamide
MOLECULAR FORMULA: C20H17N5OS
MOLECULAR WEIGHT: 375.44688
SMILES: C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O
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Product OPENEYE NAME: N-[3-[[6-(methylamino)purin-9-yl]methyl]phenyl]formamide
CAS Name: N-[3-[[6-(methylamino)-9-purinyl]methyl]phenyl]formamide
IUPAC NAME: N-[3-[[6-(methylamino)purin-9-yl]methyl]phenyl]formamide
SYSTEMATIC NAME: N-[3-[[6-(methylamino)purin-9-yl]methyl]phenyl]methanamide
MOLECULAR FORMULA: C14H14N6O
MOLECULAR WEIGHT: 282.30056
SMILES: CNC1=NC=NC2=C1N=CN2CC3=CC(=CC=C3)NC=O
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Product OPENEYE NAME: N-[3-[[6-(azetidin-1-yl)purin-9-yl]methyl]phenyl]formamide
CAS Name: N-[3-[[6-(1-azetidinyl)-9-purinyl]methyl]phenyl]formamide
IUPAC NAME: N-[3-[[6-(azetidin-1-yl)purin-9-yl]methyl]phenyl]formamide
SYSTEMATIC NAME: N-[3-[[6-(azetidin-1-yl)purin-9-yl]methyl]phenyl]methanamide
MOLECULAR FORMULA: C16H16N6O
MOLECULAR WEIGHT: 308.33784
SMILES: C1CN(C1)C2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O
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Product OPENEYE NAME: N-[3-[[6-(cyclopropylamino)purin-9-yl]methyl]phenyl]formamide
CAS Name: N-[3-[[6-(cyclopropylamino)-9-purinyl]methyl]phenyl]formamide
IUPAC NAME: N-[3-[[6-(cyclopropylamino)purin-9-yl]methyl]phenyl]formamide
SYSTEMATIC NAME: N-[3-[[6-(cyclopropylamino)purin-9-yl]methyl]phenyl]methanamide
MOLECULAR FORMULA: C16H16N6O
MOLECULAR WEIGHT: 308.33784
SMILES: C1CC1NC2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O
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Product OPENEYE NAME: N-[3-[[6-(2-hydroxyethylamino)purin-9-yl]methyl]phenyl]formamide
CAS Name: N-[3-[[6-(2-hydroxyethylamino)-9-purinyl]methyl]phenyl]formamide
IUPAC NAME: N-[3-[[6-(2-hydroxyethylamino)purin-9-yl]methyl]phenyl]formamide
SYSTEMATIC NAME: N-[3-[[6-(2-hydroxyethylamino)purin-9-yl]methyl]phenyl]methanamide
MOLECULAR FORMULA: C15H16N6O2
MOLECULAR WEIGHT: 312.32654
SMILES: C1=CC(=CC(=C1)NC=O)CN2C=NC3=C2N=CN=C3NCCO
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Product OPENEYE NAME: N-[3-(bromomethyl)phenyl]formamide
CAS Name: N-[3-(bromomethyl)phenyl]formamide
IUPAC NAME: N-[3-(bromomethyl)phenyl]formamide
SYSTEMATIC NAME: N-[3-(bromomethyl)phenyl]methanamide
MOLECULAR FORMULA: C8H8BrNO
MOLECULAR WEIGHT: 214.05922
SMILES: C1=CC(=CC(=C1)NC=O)CBr
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Product OPENEYE NAME: ethyl (Z)-2-cyano-3-[(2-methylthiazolo[5,4-b]quinoxalin-6-yl)amino]prop-2-enoate
CAS Name: (Z)-2-cyano-3-[(2-methyl-6-thiazolo[5,4-b]quinoxalinyl)amino]-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-2-cyano-3-[(2-methyl-[1,3]thiazolo[5,4-b]quinoxalin-6-yl)amino]prop-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-cyano-3-[(2-methyl-[1,3]thiazolo[5,4-b]quinoxalin-6-yl)amino]prop-2-enoate
MOLECULAR FORMULA: C16H13N5O2S
MOLECULAR WEIGHT: 339.37172
SMILES: CCOC(=O)/C(=C\NC1=CC2=C(C=C1)N=C3C(=N2)N=C(S3)C)/C#N
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Product OPENEYE NAME: (2R,3R)-2,3-dihydroxy-N,N'-bis[(Z)-(4-nitrophenyl)methyleneamino]butanediamide
CAS Name: (2R,3R)-2,3-dihydroxy-N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
IUPAC NAME: (2R,3R)-2,3-dihydroxy-N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
SYSTEMATIC NAME: (2R,3R)-N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]-2,3-bis(oxidanyl)butanediamide
MOLECULAR FORMULA: C18H16N6O8
MOLECULAR WEIGHT: 444.35504
SMILES: C1=CC(=CC=C1/C=N\NC(=O)[C@H](O)[C@@H](O)C(=O)N/N=C\C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (2R,3R)-2,3-dihydroxy-N,N'-bis[(Z)-4-pyridylmethyleneamino]butanediamide
CAS Name: (2R,3R)-2,3-dihydroxy-N,N'-bis[(Z)-pyridin-4-ylmethylideneamino]butanediamide
IUPAC NAME: (2R,3R)-2,3-dihydroxy-N,N'-bis[(Z)-pyridin-4-ylmethylideneamino]butanediamide
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)-N,N'-bis[(Z)-pyridin-4-ylmethylideneamino]butanediamide
MOLECULAR FORMULA: C16H16N6O4
MOLECULAR WEIGHT: 356.33604
SMILES: C1=CN=CC=C1/C=N\NC(=O)[C@H](O)[C@@H](O)C(=O)N/N=C\C2=CC=NC=C2
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H10IN3S
MOLECULAR WEIGHT: 391.22947
SMILES: C1C(=S)N=C2C=CC(=CC2=C3N1NC4=CC=CC=C43)I
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H8IN3S2
MOLECULAR WEIGHT: 397.25719
SMILES: C1C(=S)N=C2C(=C3N1C4=CC=CC=C4N3)C=C(S2)I
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H12IN5
MOLECULAR WEIGHT: 389.19375
SMILES: C1C(=NC2=C(C=C(C=C2)I)C3=C4C=CC=CC4=NN31)NN
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H10IN5S
MOLECULAR WEIGHT: 395.22147
SMILES: C1C(=NC2=C(C=C(S2)I)C3=NC4=CC=CC=C4N31)NN
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Product OPENEYE NAME: 2-benzylsulfanyl-5-chloro-1-oxido-pyrazin-1-ium
CAS Name: 5-chloro-1-oxido-2-(phenylmethylthio)pyrazin-1-ium
IUPAC NAME: 2-benzylsulfanyl-5-chloro-1-oxidopyrazin-1-ium
SYSTEMATIC NAME: 5-chloranyl-1-oxidanidyl-2-(phenylmethylsulfanyl)pyrazin-1-ium
MOLECULAR FORMULA: C11H9ClN2OS
MOLECULAR WEIGHT: 252.71996
SMILES: C1=CC=C(C=C1)CSC2=CN=C(C=[N+]2[O-])Cl
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