CAS RN: 7510-36-3
CAS Name: 9-[4-(ethylthio)-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[4-ethylsulfanyl-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[4-ethylsulfanyl-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[4-ethylsulfanyl-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C12H16N4O3S2
MOLECULAR WEIGHT: 328.41044
SMILES: CCSC1C(OC(C1O)N2C=NC3=C2NC=NC3=S)CO
Structure:
CAS RN: 7472-35-7
CAS Name: N-(3-phenylprop-2-enyl)benzenecarbothioamide
OPENEYE Name: N-cinnamylbenzenecarbothioamide
IUPAC Name: N-(3-phenylprop-2-enyl)benzenecarbothioamide
SYSTEMATIC NAME: N-(3-phenylprop-2-enyl)benzenecarbothioamide
MOLECULAR FORMULA: C16H15NS
MOLECULAR WEIGHT: 253.362
SMILES: C1=CC=C(C=C1)C=CCNC(=S)C2=CC=CC=C2
Structure:
CAS RN: 41675-60-9
CAS Name: 2,5-diazido-3,6-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-diazido-3,6-bis(1,1-dimethylpropyl)-1,4-benzoquinone
IUPAC Name: 2,5-diazido-3,6-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-diazido-3,6-bis(2-methylbutan-2-yl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C16H22N6O2
MOLECULAR WEIGHT: 330.38488
SMILES: CCC(C)(C)C1=C(C(=O)C(=C(C1=O)N=[N+]=[N-])C(C)(C)CC)N=[N+]=[N-]
Structure:
CAS RN: 84607-91-0
CAS Name: N-[1-(2-pyridinyl)propan-2-ylideneamino]carbamodithioic acid methyl ester
OPENEYE Name: methyl N-[[1-methyl-2-(2-pyridyl)ethylidene]amino]carbamodithioate
IUPAC Name: methyl N-(1-pyridin-2-ylpropan-2-ylideneamino)carbamodithioate
SYSTEMATIC NAME: methyl N-(1-pyridin-2-ylpropan-2-ylideneamino)carbamodithioate
MOLECULAR FORMULA: C10H13N3S2
MOLECULAR WEIGHT: 239.36032
SMILES: CC(=NNC(=S)SC)CC1=CC=CC=N1
Structure:
CAS RN: 32403-48-8
CAS Name: 1-(1-adamantyl)-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
OPENEYE Name: 1-(1-adamantyl)-3-[(3-benzyloxyphenyl)methyleneamino]thiourea
IUPAC Name: 1-(1-adamantyl)-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
MOLECULAR FORMULA: C25H29N3OS
MOLECULAR WEIGHT: 419.58226
SMILES: C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC(=CC=C4)OCC5=CC=CC=C5
Structure:
CAS RN: 57278-26-9
CAS Name: N-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propyl]-N-phenylacetamide
OPENEYE Name: N-[3-(2-amino-6-methyl-4-thioxo-1H-pyrimidin-5-yl)propyl]-N-phenyl-acetamide
IUPAC Name: N-[3-(2-amino-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propyl]-N-phenylacetamide
SYSTEMATIC NAME: N-[3-(2-azanyl-6-methyl-4-sulfanylidene-1H-pyrimidin-5-yl)propyl]-N-phenyl-ethanamide
MOLECULAR FORMULA: C16H20N4OS
MOLECULAR WEIGHT: 316.4212
SMILES: CC1=C(C(=S)N=C(N1)N)CCCN(C2=CC=CC=C2)C(=O)C
Structure:
CAS RN: 91060-50-3
CAS Name: 9-pentyl-3H-purine-6-thione
OPENEYE Name: 9-pentyl-3H-purine-6-thione
IUPAC Name: 9-pentyl-3H-purine-6-thione
SYSTEMATIC NAME: 9-pentyl-3H-purine-6-thione
MOLECULAR FORMULA: C10H14N4S
MOLECULAR WEIGHT: 222.30996
SMILES: CCCCCN1C=NC2=C1NC=NC2=S
Structure:
CAS RN: 6492-96-2
CAS Name: 1,3-dimethyl-8-(3-methylbutylthio)-6-sulfanylidene-7H-purin-2-one
OPENEYE Name: 8-isopentylsulfanyl-1,3-dimethyl-6-thioxo-7H-purin-2-one
IUPAC Name: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one
SYSTEMATIC NAME: 1,3-dimethyl-8-(3-methylbutylsulfanyl)-6-sulfanylidene-7H-purin-2-one
MOLECULAR FORMULA: C12H18N4OS2
MOLECULAR WEIGHT: 298.42752
SMILES: CC(C)CCSC1=NC2=C(N1)C(=S)N(C(=O)N2C)C
Structure:
CAS RN: 7595-96-2
CAS Name: N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
OPENEYE Name: N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitro-benzamide
IUPAC Name: N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-nitrobenzamide
SYSTEMATIC NAME: N-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-4-nitro-benzamide
MOLECULAR FORMULA: C15H10N4O5
MOLECULAR WEIGHT: 326.2637
SMILES: C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NNC2=O
Structure:
CAS RN: 3916-78-7
CAS Name: 3-chloro-1H-pyridazine-6-thione
OPENEYE Name: 3-chloro-1H-pyridazine-6-thione
IUPAC Name: 3-chloro-1H-pyridazine-6-thione
SYSTEMATIC NAME: 3-chloranyl-1H-pyridazine-6-thione
MOLECULAR FORMULA: C4H3ClN2S
MOLECULAR WEIGHT: 146.59802
SMILES: C1=CC(=NNC1=S)Cl
Structure:
CAS RN: 68770-68-3
CAS Name: [(1-acetyl-2-chloro-3-indolyl)methylideneamino]thiourea
OPENEYE Name: [(1-acetyl-2-chloro-indol-3-yl)methyleneamino]thiourea
IUPAC Name: [(1-acetyl-2-chloroindol-3-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(2-chloranyl-1-ethanoyl-indol-3-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C12H11ClN4OS
MOLECULAR WEIGHT: 294.75994
SMILES: CC(=O)N1C2=CC=CC=C2C(=C1Cl)C=NNC(=S)N
Structure:
CAS RN: 64788-28-9
CAS Name: [(2-chloro-1-ethyl-3-indolyl)methylideneamino]thiourea
OPENEYE Name: [(2-chloro-1-ethyl-indol-3-yl)methyleneamino]thiourea
IUPAC Name: [(2-chloro-1-ethylindol-3-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(2-chloranyl-1-ethyl-indol-3-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C12H13ClN4S
MOLECULAR WEIGHT: 280.77642
SMILES: CCN1C2=CC=CC=C2C(=C1Cl)C=NNC(=S)N
Structure:
CAS RN: 65331-20-6
CAS Name: 4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione
OPENEYE Name: 4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione
IUPAC Name: 4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione
SYSTEMATIC NAME: 4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydro-1H-quinazoline-2-thione
MOLECULAR FORMULA: C15H18N2OS
MOLECULAR WEIGHT: 274.38122
SMILES: COC1=CC=C(C=C1)C2C3=C(CCCC3)NC(=S)N2
Structure:
CAS RN: 22895-72-3
CAS Name: 1-octadecyl-3-[4-[4-[[(octadecylamino)-sulfanylidenemethyl]amino]phenyl]sulfonylphenyl]thiourea
OPENEYE Name: 1-octadecyl-3-[4-[4-(octadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea
IUPAC Name: 1-octadecyl-3-[4-[4-(octadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea
SYSTEMATIC NAME: 1-octadecyl-3-[4-[4-(octadecylcarbamothioylamino)phenyl]sulfonylphenyl]thiourea
MOLECULAR FORMULA: C50H86N4O2S3
MOLECULAR WEIGHT: 871.43844
SMILES: CCCCCCCCCCCCCCCCCCNC(=S)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCCCCCCCCCCCCCCCCCC
Structure:
CAS RN: 64510-93-6
CAS Name: 4-[(4-methoxyphenyl)iminomethyl]benzenecarbothioamide
OPENEYE Name: 4-[(4-methoxyphenyl)iminomethyl]benzenecarbothioamide
IUPAC Name: 4-[(4-methoxyphenyl)iminomethyl]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)iminomethyl]benzenecarbothioamide
MOLECULAR FORMULA: C15H14N2OS
MOLECULAR WEIGHT: 270.34946
SMILES: COC1=CC=C(C=C1)N=CC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 15385-67-8
CAS Name: 2-amino-8-phenyl-3,7-dihydropurine-6-thione
OPENEYE Name: 2-amino-8-phenyl-3,7-dihydropurine-6-thione
IUPAC Name: 2-amino-8-phenyl-3,7-dihydropurine-6-thione
SYSTEMATIC NAME: 2-azanyl-8-phenyl-3,7-dihydropurine-6-thione
MOLECULAR FORMULA: C11H9N5S
MOLECULAR WEIGHT: 243.28766
SMILES: C1=CC=C(C=C1)C2=NC3=C(N2)C(=S)N=C(N3)N
Structure:
CAS RN: 6616-07-5
CAS Name: 1,3-dimethyl-8-(nonylthio)-7H-purine-2,6-dithione
OPENEYE Name: 1,3-dimethyl-8-nonylsulfanyl-7H-purine-2,6-dithione
IUPAC Name: 1,3-dimethyl-8-nonylsulfanyl-7H-purine-2,6-dithione
SYSTEMATIC NAME: 1,3-dimethyl-8-nonylsulfanyl-7H-purine-2,6-dithione
MOLECULAR FORMULA: C16H26N4S3
MOLECULAR WEIGHT: 370.59944
SMILES: CCCCCCCCCSC1=NC2=C(N1)C(=S)N(C(=S)N2C)C
Structure:
CAS RN: 3021-21-4
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18N4O7S
MOLECULAR WEIGHT: 410.40172
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)C)OC(=O)C
Structure:
CAS RN: 4754-05-6
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18N4O7S
MOLECULAR WEIGHT: 410.40172
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)C)OC(=O)C
Structure:
CAS RN: 7687-42-5
CAS Name: acetic acid [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester
OPENEYE Name: [3,4-diacetoxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C16H18N4O7S
MOLECULAR WEIGHT: 410.40172
SMILES: CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)C)OC(=O)C
Structure:
CAS RN: 90771-64-5
CAS Name: (4-nitro-1-oxido-2-quinolin-1-iumyl)methanol
OPENEYE Name: (4-nitro-1-oxido-quinolin-1-ium-2-yl)methanol
IUPAC Name: (4-nitro-1-oxidoquinolin-1-ium-2-yl)methanol
SYSTEMATIC NAME: (4-nitro-1-oxidanidyl-quinolin-1-ium-2-yl)methanol
MOLECULAR FORMULA: C10H8N2O4
MOLECULAR WEIGHT: 220.18152
SMILES: C1=CC=C2C(=C1)C(=CC(=[N+]2[O-])CO)[N+](=O)[O-]
Structure:
CAS RN: 72283-91-1
CAS Name: 2-(pentylthio)-7H-purin-6-amine
OPENEYE Name: 2-pentylsulfanyl-7H-purin-6-amine
IUPAC Name: 2-pentylsulfanyl-7H-purin-6-amine
SYSTEMATIC NAME: 2-pentylsulfanyl-7H-purin-6-amine
MOLECULAR FORMULA: C10H15N5S
MOLECULAR WEIGHT: 237.3246
SMILES: CCCCCSC1=NC2=C(C(=N1)N)NC=N2
Structure:
CAS RN: 72278-43-4
CAS Name: 2-(butylthio)-7H-purin-6-amine
OPENEYE Name: 2-butylsulfanyl-7H-purin-6-amine
IUPAC Name: 2-butylsulfanyl-7H-purin-6-amine
SYSTEMATIC NAME: 2-butylsulfanyl-7H-purin-6-amine
MOLECULAR FORMULA: C9H13N5S
MOLECULAR WEIGHT: 223.29802
SMILES: CCCCSC1=NC2=C(C(=N1)N)NC=N2
Structure:
CAS RN: 33436-90-7
CAS Name: 2-(ethylthio)-7H-purin-6-amine
OPENEYE Name: 2-ethylsulfanyl-7H-purin-6-amine
IUPAC Name: 2-ethylsulfanyl-7H-purin-6-amine
SYSTEMATIC NAME: 2-ethylsulfanyl-7H-purin-6-amine
MOLECULAR FORMULA: C7H9N5S
MOLECULAR WEIGHT: 195.24486
SMILES: CCSC1=NC2=C(C(=N1)N)NC=N2
Structure:
CAS RN: 66471-20-3
CAS Name: 2-amino-5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
OPENEYE Name: 2-amino-5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: 2-amino-5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-[[3-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H19N3O5
MOLECULAR WEIGHT: 333.33916
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N
Structure:
CAS RN: 4323-17-5
CAS Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile
OPENEYE Name: 7-(6-thioxo-3H-purin-9-yl)heptanenitrile
IUPAC Name: 7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile
SYSTEMATIC NAME: 7-(6-sulfanylidene-3H-purin-9-yl)heptanenitrile
MOLECULAR FORMULA: C12H15N5S
MOLECULAR WEIGHT: 261.346
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)CCCCCCC#N
Structure:
CAS RN: 25912-36-1
CAS Name: 5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-benzyl-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-benzyl-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-(phenylmethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C11H10N2OS
MOLECULAR WEIGHT: 218.2749
SMILES: C1=CC=C(C=C1)CC2=CNC(=S)NC2=O
Structure:
CAS RN: 13143-95-8
CAS Name: benzoic acid (5-azido-3-benzoyloxy-2-methoxy-4-oxanyl) ester
OPENEYE Name: (5-azido-3-benzoyloxy-2-methoxy-tetrahydropyran-4-yl) benzoate
IUPAC Name: (5-azido-3-benzoyloxy-2-methoxyoxan-4-yl) benzoate
SYSTEMATIC NAME: [5-azido-2-methoxy-3-(phenylcarbonyloxy)oxan-4-yl] benzoate
MOLECULAR FORMULA: C20H19N3O6
MOLECULAR WEIGHT: 397.38136
SMILES: COC1C(C(C(CO1)N=[N+]=[N-])OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 18859-12-6
CAS Name: 4-(3-phenylpropoxy)benzenecarbothioamide
OPENEYE Name: 4-(3-phenylpropoxy)benzenecarbothioamide
IUPAC Name: 4-(3-phenylpropoxy)benzenecarbothioamide
SYSTEMATIC NAME: 4-(3-phenylpropoxy)benzenecarbothioamide
MOLECULAR FORMULA: C16H17NOS
MOLECULAR WEIGHT: 271.37728
SMILES: C1=CC=C(C=C1)CCCOC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 52301-16-3
CAS Name: 4,6-dinitro-N-phenyl-1H-benzimidazol-5-amine
OPENEYE Name: 4,6-dinitro-N-phenyl-1H-benzimidazol-5-amine
IUPAC Name: 4,6-dinitro-N-phenyl-1H-benzimidazol-5-amine
SYSTEMATIC NAME: 4,6-dinitro-N-phenyl-1H-benzimidazol-5-amine
MOLECULAR FORMULA: C13H9N5O4
MOLECULAR WEIGHT: 299.24166
SMILES: C1=CC=C(C=C1)NC2=C(C=C3C(=C2[N+](=O)[O-])N=CN3)[N+](=O)[O-]
Structure:
CAS RN: 58554-27-1
CAS Name: 2-methyl-N-[[[(4-methylphenyl)-sulfanylidenemethyl]amino]-oxomethyl]benzamide
OPENEYE Name: 2-methyl-N-[(4-methylbenzenecarbothioyl)carbamoyl]benzamide
IUPAC Name: 2-methyl-N-[(4-methylbenzenecarbothioyl)carbamoyl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(4-methylphenyl)carbothioylcarbamoyl]benzamide
MOLECULAR FORMULA: C17H16N2O2S
MOLECULAR WEIGHT: 312.38614
SMILES: CC1=CC=C(C=C1)C(=S)NC(=O)NC(=O)C2=CC=CC=C2C
Structure:
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