Sunday, January 22, 2012

http://ChemLookup.com Compounds




CAS RN: 135726-58-8
CAS Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)butanamide
OPENEYE Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)butanamide
IUPAC Name: N-[(4-chlorophenyl)methyl]-4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)butanamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-2-(2-methyl-1,3-dioxolan-2-yl)-4-oxidanyl-butanamide
MOLECULAR FORMULA: C15H20ClNO4
MOLECULAR WEIGHT: 313.7766
SMILES: CC1(OCCO1)C(CCO)C(=O)NCC2=CC=C(C=C2)Cl
Structure:

CAS RN: 135726-57-7
CAS Name: 4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)-N-[(4-methylphenyl)methyl]butanamide
OPENEYE Name: 4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)-N-(p-tolylmethyl)butanamide
IUPAC Name: 4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)-N-[(4-methylphenyl)methyl]butanamide
SYSTEMATIC NAME: 2-(2-methyl-1,3-dioxolan-2-yl)-N-[(4-methylphenyl)methyl]-4-oxidanyl-butanamide
MOLECULAR FORMULA: C16H23NO4
MOLECULAR WEIGHT: 293.35812
SMILES: CC1=CC=C(C=C1)CNC(=O)C(CCO)C2(OCCO2)C
Structure:

CAS RN: 135718-67-1
CAS Name: 2-(methylthio)-4-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothiolo[2,3-d]pyrimidin-3-amine hydroiodide
OPENEYE Name: 2-methylsulfanyl-4-phenyl-5,6,7,8-tetrahydro-4H-benzothiopheno[2,3-d]pyrimidin-3-amine hydroiodide
IUPAC Name: 2-methylsulfanyl-4-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothiolo[2,3-d]pyrimidin-3-amine hydroiodide
SYSTEMATIC NAME: 2-methylsulfanyl-4-phenyl-5,6,7,8-tetrahydro-4H-[1]benzothiolo[2,3-d]pyrimidin-3-amine hydroiodide
MOLECULAR FORMULA: C17H20IN3S2
MOLECULAR WEIGHT: 457.39527
SMILES: CSC1=NC2=C(C(N1N)C3=CC=CC=C3)C4=C(S2)CCCC4.I
Structure:

CAS RN: 135718-61-5
CAS Name: 2-[oxo-[(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)amino]methyl]benzoic acid
OPENEYE Name: 2-[(4-phenyl-2-thioxo-1,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)carbamoyl]benzoic acid
IUPAC Name: 2-[(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)carbamoyl]benzoic acid
MOLECULAR FORMULA: C24H21N3O3S2
MOLECULAR WEIGHT: 463.57184
SMILES: C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)NC(=O)C5=CC=CC=C5C(=O)O
Structure:

CAS RN: 135718-60-4
CAS Name: oxolane; N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
OPENEYE Name: N-(4-phenyl-2-thioxo-1,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)benzamide; tetrahydrofuran
IUPAC Name: oxolane; N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
SYSTEMATIC NAME: oxolane; N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
MOLECULAR FORMULA: C27H29N3O2S2
MOLECULAR WEIGHT: 491.66806
SMILES: C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)NC(=O)C5=CC=CC=C5.C1CCOC1
Structure:

CAS RN: 135718-59-1
CAS Name: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
OPENEYE Name: N-(4-phenyl-2-thioxo-1,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)benzamide
IUPAC Name: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
SYSTEMATIC NAME: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
MOLECULAR FORMULA: C23H21N3OS2
MOLECULAR WEIGHT: 419.56234
SMILES: C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)NC(=O)C5=CC=CC=C5
Structure:

CAS RN: 135718-58-0
CAS Name: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide
OPENEYE Name: N-(4-phenyl-2-thioxo-1,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)propanamide
IUPAC Name: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide
SYSTEMATIC NAME: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide
MOLECULAR FORMULA: C19H21N3OS2
MOLECULAR WEIGHT: 371.51954
SMILES: CCC(=O)NN1C(C2=C(NC1=S)SC3=C2CCCC3)C4=CC=CC=C4
Structure:

CAS RN: 135718-57-9
CAS Name: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
OPENEYE Name: N-(4-phenyl-2-thioxo-1,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)acetamide
IUPAC Name: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
SYSTEMATIC NAME: N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethanamide
MOLECULAR FORMULA: C18H19N3OS2
MOLECULAR WEIGHT: 357.49296
SMILES: CC(=O)NN1C(C2=C(NC1=S)SC3=C2CCCC3)C4=CC=CC=C4
Structure:

CAS RN: 135705-03-2
CAS Name: 1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]but-2-ynyl]pyrrolidine-2,5-dione
OPENEYE Name: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]pyrrolidine-2,5-dione
IUPAC Name: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C16H19N5O2
MOLECULAR WEIGHT: 313.35436
SMILES: C1CC(=O)N(C1=O)CC#CCN2CCN(CC2)C3=NC=CC=N3
Structure:

CAS RN: 135704-99-3
CAS Name: 1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]but-2-ynyl]-1,2-benzothiazol-3-one
OPENEYE Name: 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one
IUPAC Name: 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)but-2-ynyl]-1,2-benzothiazol-3-one
MOLECULAR FORMULA: C19H19N5O3S
MOLECULAR WEIGHT: 397.45086
SMILES: C1CN(CCN1CC#CCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4
Structure:

CAS RN: 135587-17-6
CAS Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iodo-decyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1-iododecyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecakis(fluoranyl)-1-iodanyl-decyl]-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C16H15F17INO3Si
MOLECULAR WEIGHT: 747.258024
SMILES: C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Structure:

CAS RN: 135587-16-5
CAS Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-iododecyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-iodo-decyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluoro-1-iododecyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecakis(fluoranyl)-1-iodanyl-decyl]-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C16H16F16INO3Si
MOLECULAR WEIGHT: 729.267561
SMILES: C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Structure:

CAS RN: 135587-15-4
CAS Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodo-octyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-iodooctyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)-1-iodanyl-octyl]-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C14H15F13INO3Si
MOLECULAR WEIGHT: 647.243012
SMILES: C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Structure:

CAS RN: 135587-14-3
CAS Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1-iodooctyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1-iodo-octyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-1-iodooctyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-[3,3,4,4,5,5,6,6,7,7,8,8-dodecakis(fluoranyl)-1-iodanyl-octyl]-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C14H16F12INO3Si
MOLECULAR WEIGHT: 629.252548
SMILES: C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Structure:

CAS RN: 135587-13-2
CAS Name: 5-(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodo-hexyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohexyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-[3,3,4,4,5,5,6,6,6-nonakis(fluoranyl)-1-iodanyl-hexyl]-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C12H15F9INO3Si
MOLECULAR WEIGHT: 547.227999
SMILES: C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)I
Structure:

CAS RN: 135587-12-1
CAS Name: 5-(3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
OPENEYE Name: 5-(3,3,4,4,5,5,6,6-octafluoro-1-iodo-hexyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
IUPAC Name: 5-(3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl)-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
SYSTEMATIC NAME: 5-[3,3,4,4,5,5,6,6-octakis(fluoranyl)-1-iodanyl-hexyl]-4,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane
MOLECULAR FORMULA: C12H16F8INO3Si
MOLECULAR WEIGHT: 529.237536
SMILES: C1CO[Si]2(OCCN1CCO2)C(CC(C(C(C(F)F)(F)F)(F)F)(F)F)I
Structure:

CAS RN: 135586-96-8
CAS Name: 2-bromo-1-imino-2-spiro[4H-naphthalene-3,1'-cyclohexane]carbonitrile
OPENEYE Name: 2'-bromo-1'-imino-spiro[cyclohexane-1,3'-tetralin]-2'-carbonitrile
IUPAC Name: 2-bromo-1-iminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
SYSTEMATIC NAME: 1-azanylidene-2-bromanyl-spiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
MOLECULAR FORMULA: C16H17BrN2
MOLECULAR WEIGHT: 317.22358
SMILES: C1CCC2(CC1)CC3=CC=CC=C3C(=N)C2(C#N)Br
Structure:

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