Monday, April 29, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
CAS Name: 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]-3-thiophenone
IUPAC NAME: 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
SYSTEMATIC NAME: 5-(methylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
MOLECULAR FORMULA: C18H14F3NOS
MOLECULAR WEIGHT: 349.37007
SMILES: CNC1=C(C(=O)C(S1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 5-(ethylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
CAS Name: 5-(ethylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]-3-thiophenone
IUPAC NAME: 5-(ethylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
SYSTEMATIC NAME: 5-(ethylamino)-2-phenyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
MOLECULAR FORMULA: C19H16F3NOS
MOLECULAR WEIGHT: 363.39665
SMILES: CCNC1=C(C(=O)C(S1)C2=CC=CC=C2)C3=CC(=CC=C3)C(F)(F)F
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Product OPENEYE NAME: 5-amino-4-(3-fluorophenyl)-2-methyl-thiophen-3-one
CAS Name: 5-amino-4-(3-fluorophenyl)-2-methyl-3-thiophenone
IUPAC NAME: 5-amino-4-(3-fluorophenyl)-2-methylthiophen-3-one
SYSTEMATIC NAME: 5-azanyl-4-(3-fluorophenyl)-2-methyl-thiophen-3-one
MOLECULAR FORMULA: C11H10FNOS
MOLECULAR WEIGHT: 223.266603
SMILES: CC1C(=O)C(=C(S1)N)C2=CC(=CC=C2)F
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Product OPENEYE NAME: 5-amino-4-(3-chlorophenyl)-2-phenyl-thiophen-3-one
CAS Name: 5-amino-4-(3-chlorophenyl)-2-phenyl-3-thiophenone
IUPAC NAME: 5-amino-4-(3-chlorophenyl)-2-phenylthiophen-3-one
SYSTEMATIC NAME: 5-azanyl-4-(3-chlorophenyl)-2-phenyl-thiophen-3-one
MOLECULAR FORMULA: C16H12ClNOS
MOLECULAR WEIGHT: 301.79058
SMILES: C1=CC=C(C=C1)C2C(=O)C(=C(S2)N)C3=CC(=CC=C3)Cl
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Product OPENEYE NAME: 5-amino-4-phenyl-thiophen-3-one
CAS Name: 5-amino-4-phenyl-3-thiophenone
IUPAC NAME: 5-amino-4-phenylthiophen-3-one
SYSTEMATIC NAME: 5-azanyl-4-phenyl-thiophen-3-one
MOLECULAR FORMULA: C10H9NOS
MOLECULAR WEIGHT: 191.24956
SMILES: C1C(=O)C(=C(S1)N)C2=CC=CC=C2
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Product OPENEYE NAME: 5-amino-4-(2-fluorophenyl)thiophen-3-one
CAS Name: 5-amino-4-(2-fluorophenyl)-3-thiophenone
IUPAC NAME: 5-amino-4-(2-fluorophenyl)thiophen-3-one
SYSTEMATIC NAME: 5-azanyl-4-(2-fluorophenyl)thiophen-3-one
MOLECULAR FORMULA: C10H8FNOS
MOLECULAR WEIGHT: 209.240023
SMILES: C1C(=O)C(=C(S1)N)C2=CC=CC=C2F
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Product OPENEYE NAME: 5-amino-2-(3,4-dichlorophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
CAS Name: 5-amino-2-(3,4-dichlorophenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenone
IUPAC NAME: 5-amino-2-(3,4-dichlorophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
SYSTEMATIC NAME: 5-azanyl-2-(3,4-dichlorophenyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one
MOLECULAR FORMULA: C17H10Cl2F3NOS
MOLECULAR WEIGHT: 404.23361
SMILES: C1=CC(=CC(=C1)C(F)(F)F)C2=C(SC(C2=O)C3=CC(=C(C=C3)Cl)Cl)N
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Product OPENEYE NAME: 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one; ammonia
CAS Name: 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-5-yl)oxymethyl]-3H-purin-6-one; ammonia
IUPAC NAME: 2-amino-9-[(2-hydroxy-2-oxo-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one; azane
SYSTEMATIC NAME: azane; 2-azanyl-9-[(2-oxidanyl-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-5-yl)oxymethyl]-3H-purin-6-one
MOLECULAR FORMULA: C9H15N6O6P
MOLECULAR WEIGHT: 334.225761
SMILES: C1C(COP(=O)(O1)O)OCN2C=NC3=C2NC(=NC3=O)N.N
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Product OPENEYE NAME: 1-propyl-3-[N'-(2-pyridylmethyl)carbamimidoyl]urea
CAS Name: 1-[amino(2-pyridinylmethylimino)methyl]-3-propylurea
IUPAC NAME: 1-propyl-3-[N'-(pyridin-2-ylmethyl)carbamimidoyl]urea
SYSTEMATIC NAME: 1-propyl-3-[N'-(pyridin-2-ylmethyl)carbamimidoyl]urea
MOLECULAR FORMULA: C11H17N5O
MOLECULAR WEIGHT: 235.28558
SMILES: CCCNC(=O)NC(=NCC1=CC=CC=N1)N
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Product OPENEYE NAME: [N'-(4-pyridylmethyl)carbamimidoyl]urea
CAS Name: [amino(pyridin-4-ylmethylimino)methyl]urea
IUPAC NAME: [N'-(pyridin-4-ylmethyl)carbamimidoyl]urea
SYSTEMATIC NAME: 1-[N'-(pyridin-4-ylmethyl)carbamimidoyl]urea
MOLECULAR FORMULA: C8H11N5O
MOLECULAR WEIGHT: 193.20584
SMILES: C1=CN=CC=C1CN=C(N)NC(=O)N
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Product OPENEYE NAME: 1-propyl-3-[N'-[2-(2-pyridyl)ethyl]carbamimidoyl]urea
CAS Name: 1-[amino-[2-(2-pyridinyl)ethylimino]methyl]-3-propylurea
IUPAC NAME: 1-propyl-3-[N'-(2-pyridin-2-ylethyl)carbamimidoyl]urea
SYSTEMATIC NAME: 1-propyl-3-[N'-(2-pyridin-2-ylethyl)carbamimidoyl]urea
MOLECULAR FORMULA: C12H19N5O
MOLECULAR WEIGHT: 249.31216
SMILES: CCCNC(=O)NC(=NCCC1=CC=CC=N1)N
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Product OPENEYE NAME: 1-propyl-3-[N'-(4-pyridylmethyl)carbamimidoyl]urea
CAS Name: 1-[amino(pyridin-4-ylmethylimino)methyl]-3-propylurea
IUPAC NAME: 1-propyl-3-[N'-(pyridin-4-ylmethyl)carbamimidoyl]urea
SYSTEMATIC NAME: 1-propyl-3-[N'-(pyridin-4-ylmethyl)carbamimidoyl]urea
MOLECULAR FORMULA: C11H17N5O
MOLECULAR WEIGHT: 235.28558
SMILES: CCCNC(=O)NC(=NCC1=CC=NC=C1)N
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Product OPENEYE NAME: 1-propyl-3-[N'-[3-(2-pyridyl)propyl]carbamimidoyl]urea
CAS Name: 1-[amino-[3-(2-pyridinyl)propylimino]methyl]-3-propylurea
IUPAC NAME: 1-propyl-3-[N'-(3-pyridin-2-ylpropyl)carbamimidoyl]urea
SYSTEMATIC NAME: 1-propyl-3-[N'-(3-pyridin-2-ylpropyl)carbamimidoyl]urea
MOLECULAR FORMULA: C13H21N5O
MOLECULAR WEIGHT: 263.33874
SMILES: CCCNC(=O)NC(=NCCCC1=CC=CC=N1)N
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Product OPENEYE NAME: [N'-(2-pyridylmethyl)carbamimidoyl]urea
CAS Name: [amino(2-pyridinylmethylimino)methyl]urea
IUPAC NAME: [N'-(pyridin-2-ylmethyl)carbamimidoyl]urea
SYSTEMATIC NAME: 1-[N'-(pyridin-2-ylmethyl)carbamimidoyl]urea
MOLECULAR FORMULA: C8H11N5O
MOLECULAR WEIGHT: 193.20584
SMILES: C1=CC=NC(=C1)CN=C(N)NC(=O)N
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Product OPENEYE NAME: 1-cyano-2-(4-pyridylmethyl)guanidine
CAS Name: 1-cyano-2-(pyridin-4-ylmethyl)guanidine
IUPAC NAME: 1-cyano-2-(pyridin-4-ylmethyl)guanidine
SYSTEMATIC NAME: 1-cyano-2-(pyridin-4-ylmethyl)guanidine
MOLECULAR FORMULA: C8H9N5
MOLECULAR WEIGHT: 175.19056
SMILES: C1=CN=CC=C1CN=C(N)NC#N
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Product OPENEYE NAME: 2-[2-(2-pyridyl)ethyl]guanidine
CAS Name: 2-[2-(2-pyridinyl)ethyl]guanidine
IUPAC NAME: 2-(2-pyridin-2-ylethyl)guanidine
SYSTEMATIC NAME: 2-(2-pyridin-2-ylethyl)guanidine
MOLECULAR FORMULA: C8H12N4
MOLECULAR WEIGHT: 164.20768
SMILES: C1=CC=NC(=C1)CCN=C(N)N
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Product OPENEYE NAME: 2-[3-(2-pyridyl)propyl]guanidine
CAS Name: 2-[3-(2-pyridinyl)propyl]guanidine
IUPAC NAME: 2-(3-pyridin-2-ylpropyl)guanidine
SYSTEMATIC NAME: 2-(3-pyridin-2-ylpropyl)guanidine
MOLECULAR FORMULA: C9H14N4
MOLECULAR WEIGHT: 178.23426
SMILES: C1=CC=NC(=C1)CCCN=C(N)N
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Product OPENEYE NAME: 1-cyano-2-(2-pyridylmethyl)guanidine
CAS Name: 1-cyano-2-(2-pyridinylmethyl)guanidine
IUPAC NAME: 1-cyano-2-(pyridin-2-ylmethyl)guanidine
SYSTEMATIC NAME: 1-cyano-2-(pyridin-2-ylmethyl)guanidine
MOLECULAR FORMULA: C8H9N5
MOLECULAR WEIGHT: 175.19056
SMILES: C1=CC=NC(=C1)CN=C(N)NC#N
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Product OPENEYE NAME: 3,5-diamino-2,4,6-triiodo-benzamide
CAS Name: 3,5-diamino-2,4,6-triiodobenzamide
IUPAC NAME: 3,5-diamino-2,4,6-triiodobenzamide
SYSTEMATIC NAME: 3,5-bis(azanyl)-2,4,6-tris(iodanyl)benzamide
MOLECULAR FORMULA: C7H6I3N3O
MOLECULAR WEIGHT: 528.85545
SMILES: C1(=C(C(=C(C(=C1I)N)I)N)I)C(=O)N
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Product OPENEYE NAME: 3,5-diacetamido-2,4,6-triiodo-benzamide
CAS Name: 3,5-diacetamido-2,4,6-triiodobenzamide
IUPAC NAME: 3,5-diacetamido-2,4,6-triiodobenzamide
SYSTEMATIC NAME: 3,5-diacetamido-2,4,6-tris(iodanyl)benzamide
MOLECULAR FORMULA: C11H10I3N3O3
MOLECULAR WEIGHT: 612.92881
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N)I)NC(=O)C)I
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Product OPENEYE NAME: N-cyclohept-2-en-1-yl-N-methyl-benzamide
CAS Name: N-(1-cyclohept-2-enyl)-N-methylbenzamide
IUPAC NAME: N-cyclohept-2-en-1-yl-N-methylbenzamide
SYSTEMATIC NAME: N-cyclohept-2-en-1-yl-N-methyl-benzamide
MOLECULAR FORMULA: C15H19NO
MOLECULAR WEIGHT: 229.31746
SMILES: CN(C1CCCCC=C1)C(=O)C2=CC=CC=C2
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Product OPENEYE NAME: (E)-1-bromo-6-methoxy-6-methyl-hept-2-en-4-yne
CAS Name: (E)-1-bromo-6-methoxy-6-methylhept-2-en-4-yne
IUPAC NAME: (E)-1-bromo-6-methoxy-6-methylhept-2-en-4-yne
SYSTEMATIC NAME: (E)-1-bromanyl-6-methoxy-6-methyl-hept-2-en-4-yne
MOLECULAR FORMULA: C9H13BrO
MOLECULAR WEIGHT: 217.10292
SMILES: CC(C)(C#C/C=C/CBr)OC
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Product OPENEYE NAME: 4-methylsulfanylbut-1-yne
CAS Name: 4-(methylthio)-1-butyne
IUPAC NAME: 4-methylsulfanylbut-1-yne
SYSTEMATIC NAME: 4-methylsulfanylbut-1-yne
MOLECULAR FORMULA: C5H8S
MOLECULAR WEIGHT: 100.18202
SMILES: CSCCC#C
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Product OPENEYE NAME: 3-chloro-7-methyl-benzothiophene
CAS Name: 3-chloro-7-methyl-1-benzothiophene
IUPAC NAME: 3-chloro-7-methyl-1-benzothiophene
SYSTEMATIC NAME: 3-chloranyl-7-methyl-1-benzothiophene
MOLECULAR FORMULA: C9H7ClS
MOLECULAR WEIGHT: 182.66988
SMILES: CC1=CC=CC2=C1SC=C2Cl
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