CAS RN: 34793-35-6
CAS Name: 2-amino-9-[2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]-3H-purine-6-thione
OPENEYE Name: 2-amino-9-[2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]-3H-purine-6-thione
IUPAC Name: 2-amino-9-[2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-[2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H11N5O3S
MOLECULAR WEIGHT: 281.29104
SMILES: C1=NC2=C(N1C3C4C(O4)C(O3)CO)NC(=NC2=S)N
Structure:
CAS RN: 2209-25-8
CAS Name: 1-[[(4-methylanilino)-sulfanylidenemethyl]amino]-3-(4-methylphenyl)thiourea
OPENEYE Name: 1-(p-tolyl)-3-(p-tolylcarbamothioylamino)thiourea
IUPAC Name: 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(4-methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea
MOLECULAR FORMULA: C16H18N4S2
MOLECULAR WEIGHT: 330.47092
SMILES: CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)C
Structure:
CAS RN: 6335-16-6
CAS Name: 3,5-dinitrobenzoic acid (2-azido-2-phenylethyl) ester
OPENEYE Name: (2-azido-2-phenyl-ethyl) 3,5-dinitrobenzoate
IUPAC Name: (2-azido-2-phenylethyl) 3,5-dinitrobenzoate
SYSTEMATIC NAME: (2-azido-2-phenyl-ethyl) 3,5-dinitrobenzoate
MOLECULAR FORMULA: C15H11N5O6
MOLECULAR WEIGHT: 357.27774
SMILES: C1=CC=C(C=C1)C(COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-]
Structure:
CAS RN: 21319-09-5
CAS Name: 3-[[[3-[[(6-amino-7H-purin-8-yl)thio]methyl]anilino]-oxomethyl]amino]benzenesulfonyl fluoride
OPENEYE Name: 3-[[3-[(6-amino-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
IUPAC Name: 3-[[3-[(6-amino-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
SYSTEMATIC NAME: 3-[[3-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
MOLECULAR FORMULA: C19H16FN7O3S2
MOLECULAR WEIGHT: 473.503843
SMILES: C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)F)CSC3=NC4=C(N3)C(=NC=N4)N
Structure:
CAS RN: 29411-70-9
CAS Name: 2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-4-azido-5-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12N8O3
MOLECULAR WEIGHT: 292.25408
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)N=[N+]=[N-])O
Structure:
CAS RN: 6373-73-5
CAS Name: N4-(2,4-dinitrophenyl)benzene-1,4-diamine
OPENEYE Name: N4-(2,4-dinitrophenyl)benzene-1,4-diamine
IUPAC Name: 4-N-(2,4-dinitrophenyl)benzene-1,4-diamine
SYSTEMATIC NAME: N4-(2,4-dinitrophenyl)benzene-1,4-diamine
MOLECULAR FORMULA: C12H10N4O4
MOLECULAR WEIGHT: 274.2322
SMILES: C1=CC(=CC=C1N)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3438-91-3
CAS Name: 7-(propylthio)-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
OPENEYE Name: 7-propylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
IUPAC Name: 7-propylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
SYSTEMATIC NAME: 7-propylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazine-4-thione
MOLECULAR FORMULA: C8H10N4S2
MOLECULAR WEIGHT: 226.3218
SMILES: CCCSC1=C2C(=NC=N2)C(=S)NN1
Structure:
CAS RN: 76289-21-9
CAS Name: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(phenylmethyl)thiourea
OPENEYE Name: 1-benzyl-3-[1,2-bis(4-methoxyphenyl)butyl]thiourea
IUPAC Name: 1-benzyl-3-[1,2-bis(4-methoxyphenyl)butyl]thiourea
SYSTEMATIC NAME: 1-[1,2-bis(4-methoxyphenyl)butyl]-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C26H30N2O2S
MOLECULAR WEIGHT: 434.5936
SMILES: CCC(C1=CC=C(C=C1)OC)C(C2=CC=C(C=C2)OC)NC(=S)NCC3=CC=CC=C3
Structure:
CAS RN: 76504-49-9
CAS Name: 2-diazonio-1-(3,3-dimethyl-2-phenyl-2-oxiranyl)ethenolate
OPENEYE Name: 2-diazonio-1-(3,3-dimethyl-2-phenyl-oxiran-2-yl)ethenolate
IUPAC Name: 2-diazonio-1-(3,3-dimethyl-2-phenyloxiran-2-yl)ethenolate
SYSTEMATIC NAME: 2-diazonio-1-(3,3-dimethyl-2-phenyl-oxiran-2-yl)ethenolate
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: CC1(C(O1)(C2=CC=CC=C2)C(=C[N+]#N)[O-])C
Structure:
CAS RN: 75224-79-2
CAS Name: [(6-methyl-2,3-dihydroimidazo[2,1-b]thiazol-5-yl)methylideneamino]thiourea
OPENEYE Name: [(6-methyl-2,3-dihydroimidazo[2,1-b]thiazol-5-yl)methyleneamino]thiourea
IUPAC Name: [(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C8H11N5S2
MOLECULAR WEIGHT: 241.33644
SMILES: CC1=C(N2CCSC2=N1)C=NNC(=S)N
Structure:
CAS RN: 90302-12-8
CAS Name: 2-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(phenylmethylthio)-5-sulfanylidene-1,2,4-triazin-3-one
OPENEYE Name: 6-benzylsulfanyl-2-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-thioxo-1,2,4-triazin-3-one
IUPAC Name: 6-benzylsulfanyl-2-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-sulfanylidene-1,2,4-triazin-3-one
SYSTEMATIC NAME: 2-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-(phenylmethylsulfanyl)-5-sulfanylidene-1,2,4-triazin-3-one
MOLECULAR FORMULA: C18H21N3O5S2
MOLECULAR WEIGHT: 423.50644
SMILES: CC1(OC2C(OC(C2O1)N3C(=O)NC(=S)C(=N3)SCC4=CC=CC=C4)CO)C
Structure:
CAS RN: 31784-71-1
CAS Name: 5-chloro-2-thiazolo[5,4-b]pyridinamine
OPENEYE Name: 5-chlorothiazolo[5,4-b]pyridin-2-amine
IUPAC Name: 5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-amine
SYSTEMATIC NAME: 5-chloranyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
MOLECULAR FORMULA: C6H4ClN3S
MOLECULAR WEIGHT: 185.63406
SMILES: C1=CC(=NC2=C1N=C(S2)N)Cl
Structure:
CAS RN: 13976-16-4
CAS Name: 1-(phenylmethyl)-1-(7H-purin-6-yl)hydrazine
OPENEYE Name: 1-benzyl-1-(7H-purin-6-yl)hydrazine
IUPAC Name: 1-benzyl-1-(7H-purin-6-yl)hydrazine
SYSTEMATIC NAME: 1-(phenylmethyl)-1-(7H-purin-6-yl)diazane
MOLECULAR FORMULA: C12H12N6
MOLECULAR WEIGHT: 240.26388
SMILES: C1=CC=C(C=C1)CN(C2=NC=NC3=C2NC=N3)N
Structure:
CAS RN: 56252-48-3
CAS Name: 1-(1-adamantyl)-3-diphenoxyphosphorylthiourea
OPENEYE Name: 1-(1-adamantyl)-3-diphenoxyphosphoryl-thiourea
IUPAC Name: 1-(1-adamantyl)-3-diphenoxyphosphorylthiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-diphenoxyphosphoryl-thiourea
MOLECULAR FORMULA: C23H27N2O3PS
MOLECULAR WEIGHT: 442.510841
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NP(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5
Structure:
CAS RN: 30077-08-8
CAS Name: 2-amino-2-(3-nitrophenyl)acetic acid
OPENEYE Name: 2-amino-2-(3-nitrophenyl)acetic acid
IUPAC Name: 2-amino-2-(3-nitrophenyl)acetic acid
SYSTEMATIC NAME: 2-azanyl-2-(3-nitrophenyl)ethanoic acid
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)O)N
Structure:
CAS RN: 14078-82-1
CAS Name: N-(hydroxymethyl)benzenecarbothioamide
OPENEYE Name: N-(hydroxymethyl)benzenecarbothioamide
IUPAC Name: N-(hydroxymethyl)benzenecarbothioamide
SYSTEMATIC NAME: N-(hydroxymethyl)benzenecarbothioamide
MOLECULAR FORMULA: C8H9NOS
MOLECULAR WEIGHT: 167.22816
SMILES: C1=CC=C(C=C1)C(=S)NCO
Structure:
CAS RN: 583-40-4
CAS Name: 7,9-dihydropurine-8-thione
OPENEYE Name: 7,9-dihydropurine-8-thione
IUPAC Name: 7,9-dihydropurine-8-thione
SYSTEMATIC NAME: 7,9-dihydropurine-8-thione
MOLECULAR FORMULA: C5H4N4S
MOLECULAR WEIGHT: 152.17706
SMILES: C1=C2C(=NC=N1)NC(=S)N2
Structure:
CAS RN: 30761-34-3
CAS Name: N-[2-(4-carbamothioyl-2-thiazolyl)ethyl]benzamide
OPENEYE Name: N-[2-(4-carbamothioylthiazol-2-yl)ethyl]benzamide
IUPAC Name: N-[2-(4-carbamothioyl-1,3-thiazol-2-yl)ethyl]benzamide
SYSTEMATIC NAME: N-[2-(4-carbamothioyl-1,3-thiazol-2-yl)ethyl]benzamide
MOLECULAR FORMULA: C13H13N3OS2
MOLECULAR WEIGHT: 291.39182
SMILES: C1=CC=C(C=C1)C(=O)NCCC2=NC(=CS2)C(=S)N
Structure:
CAS RN: 7229-00-7
CAS Name: [1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazine
OPENEYE Name: [1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazine
IUPAC Name: [1,2,4]triazolo[4,3-b]pyridazin-6-ylhydrazine
SYSTEMATIC NAME: [1,2,4]triazolo[4,3-b]pyridazin-6-yldiazane
MOLECULAR FORMULA: C5H6N6
MOLECULAR WEIGHT: 150.14134
SMILES: C1=CC2=NN=CN2N=C1NN
Structure:
CAS RN: 82039-86-9
CAS Name: N-hydroxy-4-nitro-1H-imidazole-5-carboxamide
OPENEYE Name: 4-nitro-1H-imidazole-5-carbohydroxamic acid
IUPAC Name: N-hydroxy-4-nitro-1H-imidazole-5-carboxamide
SYSTEMATIC NAME: 4-nitro-N-oxidanyl-1H-imidazole-5-carboxamide
MOLECULAR FORMULA: C4H4N4O4
MOLECULAR WEIGHT: 172.09896
SMILES: C1=NC(=C(N1)C(=O)NO)[N+](=O)[O-]
Structure:
CAS RN: 5467-03-8
CAS Name: N-phenylcarbamic acid [2-[[(4-methylphenyl)sulfonylhydrazo]-oxomethyl]phenyl] ester
OPENEYE Name: [2-[(p-tolylsulfonylamino)carbamoyl]phenyl] N-phenylcarbamate
IUPAC Name: [2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl] N-phenylcarbamate
SYSTEMATIC NAME: [2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl] N-phenylcarbamate
MOLECULAR FORMULA: C21H19N3O5S
MOLECULAR WEIGHT: 425.45766
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CC=CC=C2OC(=O)NC3=CC=CC=C3
Structure:
CAS RN: 78543-06-3
CAS Name: 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(3-fluoro-4-nitro-phenyl)-2-methyl-propanedioate
IUPAC Name: diethyl 2-(3-fluoro-4-nitrophenyl)-2-methylpropanedioate
SYSTEMATIC NAME: diethyl 2-(3-fluoranyl-4-nitro-phenyl)-2-methyl-propanedioate
MOLECULAR FORMULA: C14H16FNO6
MOLECULAR WEIGHT: 313.278343
SMILES: CCOC(=O)C(C)(C1=CC(=C(C=C1)[N+](=O)[O-])F)C(=O)OCC
Structure:
CAS RN: 91962-45-7
CAS Name: 6-[(6-methyl-2-pyridinyl)methylthio]-7H-purin-2-amine
OPENEYE Name: 6-[(6-methyl-2-pyridyl)methylsulfanyl]-7H-purin-2-amine
IUPAC Name: 6-[(6-methylpyridin-2-yl)methylsulfanyl]-7H-purin-2-amine
SYSTEMATIC NAME: 6-[(6-methylpyridin-2-yl)methylsulfanyl]-7H-purin-2-amine
MOLECULAR FORMULA: C12H12N6S
MOLECULAR WEIGHT: 272.32888
SMILES: CC1=NC(=CC=C1)CSC2=NC(=NC3=C2NC=N3)N
Structure:
CAS RN: 57723-01-0
CAS Name: 1-phenyl-3-[2-(1-pyrrolidinyl)ethyl]thiourea
OPENEYE Name: 1-phenyl-3-(2-pyrrolidin-1-ylethyl)thiourea
IUPAC Name: 1-phenyl-3-(2-pyrrolidin-1-ylethyl)thiourea
SYSTEMATIC NAME: 1-phenyl-3-(2-pyrrolidin-1-ylethyl)thiourea
MOLECULAR FORMULA: C13H19N3S
MOLECULAR WEIGHT: 249.37506
SMILES: C1CCN(C1)CCNC(=S)NC2=CC=CC=C2
Structure:
CAS RN: 55520-46-2
CAS Name: benzoic acid [3,4-dibenzoyloxy-5-(5-oxo-7-sulfanylidene-4-thiazolo[5,4-d]pyrimidinyl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-dibenzoyloxy-5-(5-oxo-7-thioxo-thiazolo[5,4-d]pyrimidin-4-yl)tetrahydrofuran-2-yl]methyl benzoate
IUPAC Name: [3,4-dibenzoyloxy-5-(5-oxo-7-sulfanylidene-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)oxolan-2-yl]methyl benzoate
SYSTEMATIC NAME: [5-(5-oxidanylidene-7-sulfanylidene-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)-3,4-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C31H23N3O8S2
MOLECULAR WEIGHT: 629.65962
SMILES: C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C4=C(C(=S)NC3=O)N=CS4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
Structure:
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