CAS RN: 7144-54-9
CAS Name: N-[[4-(4-chlorophenyl)-1-piperazinyl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
OPENEYE Name: N-[[4-(4-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
IUPAC Name: N-[[4-(4-chlorophenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphinothioyl]methanamine
SYSTEMATIC NAME: N-[[4-(4-chlorophenyl)piperazin-1-yl]-[2,4,5-tris(chloranyl)phenoxy]phosphinothioyl]methanamine
MOLECULAR FORMULA: C17H18Cl4N3OPS
MOLECULAR WEIGHT: 485.195081
SMILES: CNP(=S)(N1CCN(CC1)C2=CC=C(C=C2)Cl)OC3=CC(=C(C=C3Cl)Cl)Cl
Structure:
CAS RN: 7147-67-3
CAS Name: N-[[4-(2-methylphenyl)-1-piperazinyl]-(2,4,5-trichlorophenoxy)phosphoryl]methanamine
OPENEYE Name: N-[[4-(o-tolyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphoryl]methanamine
IUPAC Name: N-[[4-(2-methylphenyl)piperazin-1-yl]-(2,4,5-trichlorophenoxy)phosphoryl]methanamine
SYSTEMATIC NAME: N-[[4-(2-methylphenyl)piperazin-1-yl]-[2,4,5-tris(chloranyl)phenoxy]phosphoryl]methanamine
MOLECULAR FORMULA: C18H21Cl3N3O2P
MOLECULAR WEIGHT: 448.711001
SMILES: CC1=CC=CC=C1N2CCN(CC2)P(=O)(NC)OC3=CC(=C(C=C3Cl)Cl)Cl
Structure:
CAS RN: 6637-21-4
CAS Name: chloro-[2-(2-furanyl)-1-benzimidazolyl]mercury
OPENEYE Name: chloro-[2-(2-furyl)benzimidazol-1-yl]mercury
IUPAC Name: chloro-[2-(furan-2-yl)benzimidazol-1-yl]mercury
SYSTEMATIC NAME: chloranyl-[2-(furan-2-yl)benzimidazol-1-yl]mercury
MOLECULAR FORMULA: C11H7ClHgN2O
MOLECULAR WEIGHT: 419.22908
SMILES: C1=CC=C2C(=C1)N=C(N2[Hg]Cl)C3=CC=CO3
Structure:
CAS RN: 5753-26-4
CAS Name: 1-(2-chloroethyl)-4-methylpiperazine
OPENEYE Name: 1-(2-chloroethyl)-4-methyl-piperazine
IUPAC Name: 1-(2-chloroethyl)-4-methylpiperazine
SYSTEMATIC NAME: 1-(2-chloroethyl)-4-methyl-piperazine
MOLECULAR FORMULA: C7H15ClN2
MOLECULAR WEIGHT: 162.6604
SMILES: CN1CCN(CC1)CCCl
Structure:
CAS RN: 2588-38-7
CAS Name: bis(1-aziridinyl)-butoxy-sulfanylidenephosphorane
OPENEYE Name: bis(aziridin-1-yl)-butoxy-thioxo-$l^{5}-phosphane
IUPAC Name: bis(aziridin-1-yl)-butoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: bis(aziridin-1-yl)-butoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C8H17N2OPS
MOLECULAR WEIGHT: 220.272141
SMILES: CCCCOP(=S)(N1CC1)N2CC2
Structure:
CAS RN: 13846-34-9
CAS Name: 1-[1-aziridinyl(chloromethyl)phosphoryl]aziridine
OPENEYE Name: 1-[aziridin-1-yl(chloromethyl)phosphoryl]aziridine
IUPAC Name: 1-[aziridin-1-yl(chloromethyl)phosphoryl]aziridine
SYSTEMATIC NAME: 1-[aziridin-1-yl(chloromethyl)phosphoryl]aziridine
MOLECULAR FORMULA: C5H10ClN2OP
MOLECULAR WEIGHT: 180.572461
SMILES: C1CN1P(=O)(CCl)N2CC2
Structure:
CAS RN: 73855-76-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H26N2O
MOLECULAR WEIGHT: 262.39044
SMILES: C1COCCN1CCCN2CC3C4CC(C3C2)C=C4
Structure:
CAS RN: 6943-88-0
CAS Name: 1-methylsulfonyl-2-propanesulfonic acid
OPENEYE Name: 1-methylsulfonylpropane-2-sulfonic acid
IUPAC Name: 1-methylsulfonylpropane-2-sulfonic acid
SYSTEMATIC NAME: 1-methylsulfonylpropane-2-sulfonic acid
MOLECULAR FORMULA: C4H10O5S2
MOLECULAR WEIGHT: 202.2492
SMILES: CC(CS(=O)(=O)C)S(=O)(=O)O
Structure:
CAS RN: 1561-96-2
CAS Name: 2-hydroxy-1-propanesulfonic acid
OPENEYE Name: 2-hydroxypropane-1-sulfonic acid
IUPAC Name: 2-hydroxypropane-1-sulfonic acid
SYSTEMATIC NAME: 2-oxidanylpropane-1-sulfonic acid
MOLECULAR FORMULA: C3H8O4S
MOLECULAR WEIGHT: 140.15822
SMILES: CC(CS(=O)(=O)O)O
Structure:
CAS RN: 7149-04-4
CAS Name: N-[4-(benzenesulfonamido)-5-(benzenesulfonyl)-2-chlorophenyl]benzenesulfonamide
OPENEYE Name: N-[4-(benzenesulfonamido)-5-(benzenesulfonyl)-2-chloro-phenyl]benzenesulfonamide
IUPAC Name: N-[4-(benzenesulfonamido)-5-(benzenesulfonyl)-2-chlorophenyl]benzenesulfonamide
SYSTEMATIC NAME: N-[2-chloranyl-5-(phenylsulfonyl)-4-(phenylsulfonylamino)phenyl]benzenesulfonamide
MOLECULAR FORMULA: C24H19ClN2O6S3
MOLECULAR WEIGHT: 563.06546
SMILES: C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C(=C2)NS(=O)(=O)C3=CC=CC=C3)Cl)NS(=O)(=O)C4=CC=CC=C4
Structure:
CAS RN: 27018-19-5
CAS Name: 7-chloroquinazoline-2,4-diamine
OPENEYE Name: 7-chloroquinazoline-2,4-diamine
IUPAC Name: 7-chloroquinazoline-2,4-diamine
SYSTEMATIC NAME: 7-chloranylquinazoline-2,4-diamine
MOLECULAR FORMULA: C8H7ClN4
MOLECULAR WEIGHT: 194.62098
SMILES: C1=CC2=C(C=C1Cl)N=C(N=C2N)N
Structure:
CAS RN: 915402-36-7
CAS Name: 7-chloroquinazoline-2,4-diamine
OPENEYE Name: 7-chloroquinazoline-2,4-diamine
IUPAC Name: 7-chloroquinazoline-2,4-diamine
SYSTEMATIC NAME: 7-chloranylquinazoline-2,4-diamine
MOLECULAR FORMULA: C8H7ClN4
MOLECULAR WEIGHT: 194.62098
SMILES: C1=CC2=C(C=C1Cl)N=C(N=C2N)N
Structure:
CAS RN: 5905-34-0
CAS Name: [4-[bis[4-(N-ethyl-3-sulfoanilino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium
OPENEYE Name: [4-[bis[4-(N-ethyl-3-sulfo-anilino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium
IUPAC Name: [4-[bis[4-(N-ethyl-3-sulfoanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
SYSTEMATIC NAME: [4-[bis[4-[ethyl-(3-sulfophenyl)amino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium
MOLECULAR FORMULA: C37H38N3O6S2+
MOLECULAR WEIGHT: 684.84412
SMILES: CCN(C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(CC)C4=CC(=CC=C4)S(=O)(=O)O)C5=CC(=CC=C5)S(=O)(=O)O
Structure:
CAS RN: 6344-96-3
CAS Name: 3-(4,5-dihydro-1H-imidazol-2-ylthio)propanoic acid
OPENEYE Name: 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid
IUPAC Name: 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid
SYSTEMATIC NAME: 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid
MOLECULAR FORMULA: C6H10N2O2S
MOLECULAR WEIGHT: 174.2208
SMILES: C1CN=C(N1)SCCC(=O)O
Structure:
CAS RN: 6344-80-5
CAS Name: 3-methyl-5,6-dihydroimidazo[2,1-b]thiazole
OPENEYE Name: 3-methyl-5,6-dihydroimidazo[2,1-b]thiazole
IUPAC Name: 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C6H8N2S
MOLECULAR WEIGHT: 140.20612
SMILES: CC1=CSC2=NCCN12
Structure:
CAS RN: 4238-93-1
CAS Name: N-[bis(2-ethyl-1-aziridinyl)phosphoryl]-1-butanamine
OPENEYE Name: N-bis(2-ethylaziridin-1-yl)phosphorylbutan-1-amine
IUPAC Name: N-bis(2-ethylaziridin-1-yl)phosphorylbutan-1-amine
SYSTEMATIC NAME: N-bis(2-ethylaziridin-1-yl)phosphorylbutan-1-amine
MOLECULAR FORMULA: C12H26N3OP
MOLECULAR WEIGHT: 259.328101
SMILES: CCCCNP(=O)(N1CC1CC)N2CC2CC
Structure:
CAS RN: 5374-54-9
CAS Name: 1,3-bis[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
OPENEYE Name: 1,3-bis[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
IUPAC Name: 1,3-bis[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
SYSTEMATIC NAME: 1,3-bis[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
MOLECULAR FORMULA: C19H20N6O
MOLECULAR WEIGHT: 348.4017
SMILES: C1CN=C(N1)C2=CC=CC=C2NC(=O)NC3=CC=CC=C3C4=NCCN4
Structure:
CAS RN: 91494-79-0
CAS Name: 1,3-benzodioxole-5-carboxylic acid 2-(2-chloroethylamino)ethyl ester
OPENEYE Name: 2-(2-chloroethylamino)ethyl 1,3-benzodioxole-5-carboxylate
IUPAC Name: 2-(2-chloroethylamino)ethyl 1,3-benzodioxole-5-carboxylate
SYSTEMATIC NAME: 2-(2-chloroethylamino)ethyl 1,3-benzodioxole-5-carboxylate
MOLECULAR FORMULA: C12H14ClNO4
MOLECULAR WEIGHT: 271.69686
SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)OCCNCCCl
Structure:
CAS RN: 17672-22-9
CAS Name: 2-amino-6-methylphenol
OPENEYE Name: 2-amino-6-methyl-phenol
IUPAC Name: 2-amino-6-methylphenol
SYSTEMATIC NAME: 2-azanyl-6-methyl-phenol
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=C(C(=CC=C1)N)O
Structure:
CAS RN: 16844-42-1
CAS Name: 3-(phenylmethyl)-2H-oxadiazol-3-ium-5-one
OPENEYE Name: 3-benzyl-2H-oxadiazol-3-ium-5-one
IUPAC Name: 3-benzyl-2H-oxadiazol-3-ium-5-one
SYSTEMATIC NAME: 3-(phenylmethyl)-2H-1,2,3-oxadiazol-3-ium-5-one
MOLECULAR FORMULA: C9H9N2O2+
MOLECULAR WEIGHT: 177.17996
SMILES: C1=CC=C(C=C1)C[N+]2=CC(=O)ON2
Structure:
CAS RN: 6327-77-1
CAS Name: 4-[3-(1-azepanyl)-2-quinoxalinyl]morpholine
OPENEYE Name: 4-[3-(azepan-1-yl)quinoxalin-2-yl]morpholine
IUPAC Name: 4-[3-(azepan-1-yl)quinoxalin-2-yl]morpholine
SYSTEMATIC NAME: 4-[3-(azepan-1-yl)quinoxalin-2-yl]morpholine
MOLECULAR FORMULA: C18H24N4O
MOLECULAR WEIGHT: 312.40936
SMILES: C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2N4CCOCC4
Structure:
CAS RN: 7142-81-6
CAS Name: 2-(1-azepanyl)-3-(1-piperidinyl)quinoxaline
OPENEYE Name: 2-(azepan-1-yl)-3-(1-piperidyl)quinoxaline
IUPAC Name: 2-(azepan-1-yl)-3-piperidin-1-ylquinoxaline
SYSTEMATIC NAME: 2-(azepan-1-yl)-3-piperidin-1-yl-quinoxaline
MOLECULAR FORMULA: C19H26N4
MOLECULAR WEIGHT: 310.43654
SMILES: C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2N4CCCCC4
Structure:
CAS RN: 6327-73-7
CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-hexanol
OPENEYE Name: 6-(dimethylamino)-4,4-diphenyl-hexan-3-ol
IUPAC Name: 6-(dimethylamino)-4,4-diphenylhexan-3-ol
SYSTEMATIC NAME: 6-(dimethylamino)-4,4-diphenyl-hexan-3-ol
MOLECULAR FORMULA: C20H27NO
MOLECULAR WEIGHT: 297.43448
SMILES: CCC(C(CCN(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)O
Structure:
CAS RN: 68060-64-0
CAS Name: 4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(1-pyrrolidinylmethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
OPENEYE Name: 4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(pyrrolidin-1-ylmethylamino)methylene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
IUPAC Name: 4-(dimethylamino)-6,10,11,12a-tetrahydroxy-2-[hydroxy-(pyrrolidin-1-ylmethylamino)methylidene]-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
SYSTEMATIC NAME: 4-(dimethylamino)-6-methyl-6,10,11,12a-tetrakis(oxidanyl)-2-[oxidanyl-(pyrrolidin-1-ylmethylamino)methylidene]-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione
MOLECULAR FORMULA: C27H33N3O8
MOLECULAR WEIGHT: 527.56622
SMILES: CC1(C2CC3C(C(=O)C(=C(NCN4CCCC4)O)C(=O)C3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)N(C)C)O
Structure:
CAS RN: 6935-34-8
CAS Name: bromo-(3-cyano-2-methoxypropyl)mercury
OPENEYE Name: bromo-(3-cyano-2-methoxy-propyl)mercury
IUPAC Name: bromo-(3-cyano-2-methoxypropyl)mercury
SYSTEMATIC NAME: bromanyl-(3-cyano-2-methoxy-propyl)mercury
MOLECULAR FORMULA: C5H8BrHgNO
MOLECULAR WEIGHT: 378.61712
SMILES: COC(CC#N)C[Hg]Br
Structure:
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