CAS RN: 51463-89-9
CAS Name: 6-amino-1-hydroxy-7H-purin-2-one
OPENEYE Name: 6-amino-1-hydroxy-7H-purin-2-one
IUPAC Name: 6-amino-1-hydroxy-7H-purin-2-one
SYSTEMATIC NAME: 6-azanyl-1-oxidanyl-7H-purin-2-one
MOLECULAR FORMULA: C5H5N5O2
MOLECULAR WEIGHT: 167.1255
SMILES: C1=NC2=NC(=O)N(C(=C2N1)N)O
Structure:
CAS RN: 14025-15-1
CAS Name: copper 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
OPENEYE Name: copper 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
IUPAC Name: copper 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: copper 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C10H16CuN2O8+2
MOLECULAR WEIGHT: 355.78864
SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Cu+2]
Structure:
CAS RN: 15375-84-5
CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; manganese(2+)
OPENEYE Name: manganous 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid; manganese(2+)
SYSTEMATIC NAME: 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-(2-hydroxy-2-oxoethyl)amino]ethanoic acid; manganese(2+)
MOLECULAR FORMULA: C10H16MnN2O8+2
MOLECULAR WEIGHT: 347.180689
SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Mn+2]
Structure:
CAS RN: 6188-01-8
CAS Name: 2-tert-butyl-1-(4,6-dimethyl-2-pyrimidinyl)guanidine
OPENEYE Name: 2-tert-butyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
IUPAC Name: 2-tert-butyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
SYSTEMATIC NAME: 2-tert-butyl-1-(4,6-dimethylpyrimidin-2-yl)guanidine
MOLECULAR FORMULA: C11H19N5
MOLECULAR WEIGHT: 221.30206
SMILES: CC1=CC(=NC(=N1)NC(=NC(C)(C)C)N)C
Structure:
CAS RN: 515847-20-8
CAS Name: 2-bromo-5-ethoxy-4-methoxybenzonitrile
OPENEYE Name: 2-bromo-5-ethoxy-4-methoxy-benzonitrile
IUPAC Name: 2-bromo-5-ethoxy-4-methoxybenzonitrile
SYSTEMATIC NAME: 2-bromanyl-5-ethoxy-4-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C10H10BrNO2
MOLECULAR WEIGHT: 256.0959
SMILES: CCOC1=C(C=C(C(=C1)C#N)Br)OC
Structure:
CAS RN: 52043-21-7
CAS Name: 2-(2,4-difluorophenoxy)propanoic acid
OPENEYE Name: 2-(2,4-difluorophenoxy)propanoic acid
IUPAC Name: 2-(2,4-difluorophenoxy)propanoic acid
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenoxy]propanoic acid
MOLECULAR FORMULA: C9H8F2O3
MOLECULAR WEIGHT: 202.154826
SMILES: CC(C(=O)O)OC1=C(C=C(C=C1)F)F
Structure:
CAS RN: 32403-21-7
CAS Name: 1-(1-adamantyl)-3-[(2-methylphenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-(o-tolylmethyleneamino)thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(2-methylphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(2-methylphenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C19H25N3S
MOLECULAR WEIGHT: 327.4869
SMILES: CC1=CC=CC=C1C=NNC(=S)NC23CC4CC(C2)CC(C4)C3
Structure:
CAS RN: 82701-58-4
CAS Name: 2-methyl-2-propenoic acid 2-[4-(2-chloro-4-nitrophenyl)azo-N-ethylanilino]ethyl ester
OPENEYE Name: 2-[4-(2-chloro-4-nitro-phenyl)azo-N-ethyl-anilino]ethyl 2-methylprop-2-enoate
IUPAC Name: 2-[4-[(2-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-[[4-[(2-chloranyl-4-nitro-phenyl)diazenyl]phenyl]-ethyl-amino]ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C20H21ClN4O4
MOLECULAR WEIGHT: 416.85814
SMILES: CCN(CCOC(=O)C(=C)C)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 31602-63-8
CAS Name: 2H-tetrazol-5-ylmethanamine
OPENEYE Name: 2H-tetrazol-5-ylmethanamine
IUPAC Name: 2H-tetrazol-5-ylmethanamine
SYSTEMATIC NAME: 2H-1,2,3,4-tetrazol-5-ylmethanamine
MOLECULAR FORMULA: C2H5N5
MOLECULAR WEIGHT: 99.0946
SMILES: C(C1=NNN=N1)N
Structure:
CAS RN: 87-37-6
CAS Name: 2-[[[4-[[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-1-oxopropyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)propanoylamino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H22N4O7S
MOLECULAR WEIGHT: 462.47628
SMILES: CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 61720-61-4
CAS Name: 1-(benzenecarbonothioyl)-3-methylsulfonylurea
OPENEYE Name: 1-(benzenecarbonothioyl)-3-methylsulfonyl-urea
IUPAC Name: 1-(benzenecarbonothioyl)-3-methylsulfonylurea
SYSTEMATIC NAME: 1-(benzenecarbonothioyl)-3-methylsulfonyl-urea
MOLECULAR FORMULA: C9H10N2O3S2
MOLECULAR WEIGHT: 258.3173
SMILES: CS(=O)(=O)NC(=O)NC(=S)C1=CC=CC=C1
Structure:
CAS RN: 31181-44-9
CAS Name: [(5-fluoro-2-pyridinyl)methylideneamino]thiourea
OPENEYE Name: [(5-fluoro-2-pyridyl)methyleneamino]thiourea
IUPAC Name: [(5-fluoropyridin-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(5-fluoranylpyridin-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C7H7FN4S
MOLECULAR WEIGHT: 198.220683
SMILES: C1=CC(=NC=C1F)C=NNC(=S)N
Structure:
CAS RN: 34396-96-8
CAS Name: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione
OPENEYE Name: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione
IUPAC Name: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[(2,5-dimethylphenyl)methyl]-3H-purine-6-thione
MOLECULAR FORMULA: C14H14N4S
MOLECULAR WEIGHT: 270.35276
SMILES: CC1=CC(=C(C=C1)C)CN2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 84539-22-0
CAS Name: 4-(5-bromo-2-pyrimidinyl)morpholine
OPENEYE Name: 4-(5-bromopyrimidin-2-yl)morpholine
IUPAC Name: 4-(5-bromopyrimidin-2-yl)morpholine
SYSTEMATIC NAME: 4-(5-bromanylpyrimidin-2-yl)morpholine
MOLECULAR FORMULA: C8H10BrN3O
MOLECULAR WEIGHT: 244.0885
SMILES: C1COCCN1C2=NC=C(C=N2)Br
Structure:
CAS RN: 113475-65-3
CAS Name: 4,5-diethoxy-2-nitroaniline
OPENEYE Name: 4,5-diethoxy-2-nitro-aniline
IUPAC Name: 4,5-diethoxy-2-nitroaniline
SYSTEMATIC NAME: 4,5-diethoxy-2-nitro-aniline
MOLECULAR FORMULA: C10H14N2O4
MOLECULAR WEIGHT: 226.22916
SMILES: CCOC1=C(C=C(C(=C1)N)[N+](=O)[O-])OCC
Structure:
CAS RN: 312624-15-0
CAS Name: adamantan-1-ide; bromozinc(1+)
OPENEYE Name: adamantan-1-ide; bromozinc(1+)
IUPAC Name: adamantan-1-ide; bromozinc(1+)
SYSTEMATIC NAME: adamantan-1-ide; bromanylzinc(1+)
MOLECULAR FORMULA: C10H15BrZn
MOLECULAR WEIGHT: 280.5391
SMILES: C1C2CC3CC1C[C-](C2)C3.[Zn+]Br
Structure:
CAS RN: 66447-31-2
CAS Name: 2-amino-4-methyl-N-(4-methyl-2-oxo-1-benzopyran-7-yl)pentanamide
OPENEYE Name: 2-amino-4-methyl-N-(4-methyl-2-oxo-chromen-7-yl)pentanamide
IUPAC Name: 2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
SYSTEMATIC NAME: 2-azanyl-4-methyl-N-(4-methyl-2-oxidanylidene-chromen-7-yl)pentanamide
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(C)C)N
Structure:
CAS RN: 66508-37-0
CAS Name: sodium 3-[formyl(hydroxy)amino]propyl-hydroxyphosphinate
OPENEYE Name: sodium 3-[formyl(hydroxy)amino]propyl-hydroxy-phosphinate
IUPAC Name: sodium 3-[formyl(hydroxy)amino]propyl-hydroxyphosphinate
SYSTEMATIC NAME: sodium 3-[methanoyl(oxidanyl)amino]propyl-oxidanyl-phosphinate
MOLECULAR FORMULA: C4H9NNaO5P
MOLECULAR WEIGHT: 205.081491
SMILES: C(CN(C=O)O)CP(=O)(O)[O-].[Na+]
Structure:
CAS RN: 93987-59-8
CAS Name: 1-anilino-3-[[(4-methylanilino)-sulfanylidenemethyl]amino]thiourea
OPENEYE Name: 1-anilino-3-(p-tolylcarbamothioylamino)thiourea
IUPAC Name: 1-anilino-3-[(4-methylphenyl)carbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-(phenylazanylcarbamothioylamino)thiourea
MOLECULAR FORMULA: C15H17N5S2
MOLECULAR WEIGHT: 331.45898
SMILES: CC1=CC=C(C=C1)NC(=S)NNC(=S)NNC2=CC=CC=C2
Structure:
CAS RN: 2756-85-6
CAS Name: 1-ammonio-1-cyclohexanecarboxylate
OPENEYE Name: 1-azaniumylcyclohexanecarboxylate
IUPAC Name: 1-azaniumylcyclohexane-1-carboxylate
SYSTEMATIC NAME: 1-azaniumylcyclohexane-1-carboxylate
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: C1CCC(CC1)(C(=O)[O-])[NH3+]
Structure:
CAS RN: 75224-81-6
CAS Name: [(6-chloro-2,3-dihydroimidazo[2,1-b]thiazol-5-yl)methylideneamino]thiourea
OPENEYE Name: [(6-chloro-2,3-dihydroimidazo[2,1-b]thiazol-5-yl)methyleneamino]thiourea
IUPAC Name: [(6-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(6-chloranyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C7H8ClN5S2
MOLECULAR WEIGHT: 261.75492
SMILES: C1CSC2=NC(=C(N21)C=NNC(=S)N)Cl
Structure:
CAS RN: 58554-29-3
CAS Name: 2-methyl-N-[[[1-naphthalenyl(sulfanylidene)methyl]amino]-oxomethyl]benzamide
OPENEYE Name: 2-methyl-N-(naphthalene-1-carbothioylcarbamoyl)benzamide
IUPAC Name: 2-methyl-N-(naphthalene-1-carbothioylcarbamoyl)benzamide
SYSTEMATIC NAME: 2-methyl-N-(naphthalen-1-ylcarbothioylcarbamoyl)benzamide
MOLECULAR FORMULA: C20H16N2O2S
MOLECULAR WEIGHT: 348.41824
SMILES: CC1=CC=CC=C1C(=O)NC(=O)NC(=S)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 64547-96-2
CAS Name: 4-[(4-carbamothioylphenyl)methylideneamino]benzamide
OPENEYE Name: 4-[(4-carbamothioylphenyl)methyleneamino]benzamide
IUPAC Name: 4-[(4-carbamothioylphenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 4-[(4-carbamothioylphenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C15H13N3OS
MOLECULAR WEIGHT: 283.34822
SMILES: C1=CC(=CC=C1C=NC2=CC=C(C=C2)C(=O)N)C(=S)N
Structure:
CAS RN: 12024-21-4
CAS Name: oxo(oxogallanyloxy)gallane
OPENEYE Name: oxo(oxogallanyloxy)gallane
IUPAC Name: oxo(oxogallanyloxy)gallane
SYSTEMATIC NAME: oxidanylidene(oxidanylidenegallanyloxy)gallane
MOLECULAR FORMULA: Ga2O3
MOLECULAR WEIGHT: 187.4442
SMILES: O=[Ga]O[Ga]=O
Structure:
CAS RN: 5358-68-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H9ClN2O
MOLECULAR WEIGHT: 268.69776
SMILES: C1=CC=C2C(=C1)C3=C4C2=[N+](C(=NC4=CC=C3)CCl)[O-]
Structure:
CAS RN: 7151-37-3
CAS Name: 2-sulfanylidene-5,8-dihydro-1H-pteridine-4,6,7-trione
OPENEYE Name: 2-thioxo-5,8-dihydro-1H-pteridine-4,6,7-trione
IUPAC Name: 2-sulfanylidene-5,8-dihydro-1H-pteridine-4,6,7-trione
SYSTEMATIC NAME: 2-sulfanylidene-5,8-dihydro-1H-pteridine-4,6,7-trione
MOLECULAR FORMULA: C6H4N4O3S
MOLECULAR WEIGHT: 212.18596
SMILES: C12=C(NC(=O)C(=O)N1)NC(=S)NC2=O
Structure:
CAS RN: 65340-70-7
CAS Name: 6-bromo-4-chloroquinoline
OPENEYE Name: 6-bromo-4-chloro-quinoline
IUPAC Name: 6-bromo-4-chloroquinoline
SYSTEMATIC NAME: 6-bromanyl-4-chloranyl-quinoline
MOLECULAR FORMULA: C9H5BrClN
MOLECULAR WEIGHT: 242.4997
SMILES: C1=CC2=NC=CC(=C2C=C1Br)Cl
Structure:
CAS RN: 31181-43-8
CAS Name: [(4-methyl-2-pyridinyl)methylideneamino]thiourea
OPENEYE Name: [(4-methyl-2-pyridyl)methyleneamino]thiourea
IUPAC Name: [(4-methylpyridin-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(4-methylpyridin-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C8H10N4S
MOLECULAR WEIGHT: 194.2568
SMILES: CC1=CC(=NC=C1)C=NNC(=S)N
Structure:
CAS RN: 844-74-6
CAS Name: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide
OPENEYE Name: 3-(6-methyl-4-oxo-2-thioxo-1H-pyrimidin-5-yl)-N-phenyl-propanamide
IUPAC Name: 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenylpropanamide
SYSTEMATIC NAME: 3-(6-methyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)-N-phenyl-propanamide
MOLECULAR FORMULA: C14H15N3O2S
MOLECULAR WEIGHT: 289.3528
SMILES: CC1=C(C(=O)NC(=S)N1)CCC(=O)NC2=CC=CC=C2
Structure:
CAS RN: 64510-96-9
CAS Name: 4-[(4-methylphenyl)methylideneamino]benzenecarbothioamide
OPENEYE Name: 4-(p-tolylmethyleneamino)benzenecarbothioamide
IUPAC Name: 4-[(4-methylphenyl)methylideneamino]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(4-methylphenyl)methylideneamino]benzenecarbothioamide
MOLECULAR FORMULA: C15H14N2S
MOLECULAR WEIGHT: 254.35006
SMILES: CC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 2268-77-1
CAS Name: 4-methyl-3H-1,3-benzothiazole-2-thione
OPENEYE Name: 4-methyl-3H-1,3-benzothiazole-2-thione
IUPAC Name: 4-methyl-3H-1,3-benzothiazole-2-thione
SYSTEMATIC NAME: 4-methyl-3H-1,3-benzothiazole-2-thione
MOLECULAR FORMULA: C8H7NS2
MOLECULAR WEIGHT: 181.27788
SMILES: CC1=C2C(=CC=C1)SC(=S)N2
Structure:
CAS RN: 77052-73-4
CAS Name: carbamodithioic acid [3-oxo-3-(1-pyrrolidinyl)propyl] ester
OPENEYE Name: (3-oxo-3-pyrrolidin-1-yl-propyl) carbamodithioate
IUPAC Name: (3-oxo-3-pyrrolidin-1-ylpropyl) carbamodithioate
SYSTEMATIC NAME: (3-oxidanylidene-3-pyrrolidin-1-yl-propyl) carbamodithioate
MOLECULAR FORMULA: C8H14N2OS2
MOLECULAR WEIGHT: 218.33956
SMILES: C1CCN(C1)C(=O)CCSC(=S)N
Structure:
CAS RN: 143173-93-7
CAS Name: 3-amino-N-butylbenzenesulfonamide
OPENEYE Name: 3-amino-N-butyl-benzenesulfonamide
IUPAC Name: 3-amino-N-butylbenzenesulfonamide
SYSTEMATIC NAME: 3-azanyl-N-butyl-benzenesulfonamide
MOLECULAR FORMULA: C10H16N2O2S
MOLECULAR WEIGHT: 228.31124
SMILES: CCCCNS(=O)(=O)C1=CC=CC(=C1)N
Structure:
CAS RN: 6954-17-2
CAS Name: N-phenyl-1H-indole-3-carbothioamide
OPENEYE Name: N-phenyl-1H-indole-3-carbothioamide
IUPAC Name: N-phenyl-1H-indole-3-carbothioamide
SYSTEMATIC NAME: N-phenyl-1H-indole-3-carbothioamide
MOLECULAR FORMULA: C15H12N2S
MOLECULAR WEIGHT: 252.33418
SMILES: C1=CC=C(C=C1)NC(=S)C2=CNC3=CC=CC=C32
Structure:
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