CAS RN: 18161-98-3
CAS Name: [2-[3-[2-(carbamothioylhydrazinylidene)ethyl]-2,4-dioxo-1-pyrimidinyl]ethylideneamino]thiourea
OPENEYE Name: [2-[3-[2-(carbamothioylhydrazono)ethyl]-2,4-dioxo-pyrimidin-1-yl]ethylideneamino]thiourea
IUPAC Name: [2-[3-[2-(carbamothioylhydrazinylidene)ethyl]-2,4-dioxopyrimidin-1-yl]ethylideneamino]thiourea
SYSTEMATIC NAME: 1-[2-[3-[2-(carbamothioylhydrazinylidene)ethyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethylideneamino]thiourea
MOLECULAR FORMULA: C10H14N8O2S2
MOLECULAR WEIGHT: 342.40056
SMILES: C1=CN(C(=O)N(C1=O)CC=NNC(=S)N)CC=NNC(=S)N
Structure:
CAS RN: 6621-81-4
CAS Name: N-phenyl-2-(trifluoromethyl)-7H-purin-6-amine
OPENEYE Name: N-phenyl-2-(trifluoromethyl)-7H-purin-6-amine
IUPAC Name: N-phenyl-2-(trifluoromethyl)-7H-purin-6-amine
SYSTEMATIC NAME: N-phenyl-2-(trifluoromethyl)-7H-purin-6-amine
MOLECULAR FORMULA: C12H8F3N5
MOLECULAR WEIGHT: 279.22063
SMILES: C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)C(F)(F)F
Structure:
CAS RN: 85379-09-5
CAS Name: 5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
OPENEYE Name: 5-methoxy-1-methyl-N-propyl-tetralin-2-amine
IUPAC Name: 5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SYSTEMATIC NAME: 5-methoxy-1-methyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
MOLECULAR FORMULA: C15H23NO
MOLECULAR WEIGHT: 233.34922
SMILES: CCCNC1CCC2=C(C1C)C=CC=C2OC
Structure:
CAS RN: 4590-28-7
CAS Name: N-[[(3-nitrophenyl)-oxomethyl]amino]formamide
OPENEYE Name: N-[(3-nitrobenzoyl)amino]formamide
IUPAC Name: N-[(3-nitrobenzoyl)amino]formamide
SYSTEMATIC NAME: N-[(3-nitrophenyl)carbonylamino]methanamide
MOLECULAR FORMULA: C8H7N3O4
MOLECULAR WEIGHT: 209.15888
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NNC=O
Structure:
CAS RN: 28747-52-6
CAS Name: 4-oxo-5-[(4-phenylphenyl)methyl]-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde
OPENEYE Name: 4-oxo-5-[(4-phenylphenyl)methyl]-2-thioxo-1H-pyrimidine-6-carbaldehyde
IUPAC Name: 4-oxo-5-[(4-phenylphenyl)methyl]-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
SYSTEMATIC NAME: 4-oxidanylidene-5-[(4-phenylphenyl)methyl]-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde
MOLECULAR FORMULA: C18H14N2O2S
MOLECULAR WEIGHT: 322.38096
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC3=C(NC(=S)NC3=O)C=O
Structure:
CAS RN: 22662-00-6
CAS Name: 3-methyl-1-(7H-purin-6-ylamino)-2-butanol
OPENEYE Name: 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
IUPAC Name: 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
SYSTEMATIC NAME: 3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
MOLECULAR FORMULA: C10H15N5O
MOLECULAR WEIGHT: 221.259
SMILES: CC(C)C(CNC1=NC=NC2=C1NC=N2)O
Structure:
CAS RN: 70244-94-9
CAS Name: N'-(2,4-dinitrophenyl)-2-prop-2-ynoxybenzohydrazide
OPENEYE Name: N'-(2,4-dinitrophenyl)-2-prop-2-ynoxy-benzohydrazide
IUPAC Name: N'-(2,4-dinitrophenyl)-2-prop-2-ynoxybenzohydrazide
SYSTEMATIC NAME: N'-(2,4-dinitrophenyl)-2-prop-2-ynoxy-benzohydrazide
MOLECULAR FORMULA: C16H12N4O6
MOLECULAR WEIGHT: 356.28968
SMILES: C#CCOC1=CC=CC=C1C(=O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6853-69-6
CAS Name: [(6-methyl-2-pyridinyl)methylideneamino]thiourea
OPENEYE Name: [(6-methyl-2-pyridyl)methyleneamino]thiourea
IUPAC Name: [(6-methylpyridin-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[(6-methylpyridin-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C8H10N4S
MOLECULAR WEIGHT: 194.2568
SMILES: CC1=CC=CC(=N1)C=NNC(=S)N
Structure:
CAS RN: 7497-35-0
CAS Name: 4,6-dimethyl-1-oxido-3-pyridin-1-iumcarbonitrile
OPENEYE Name: 4,6-dimethyl-1-oxido-pyridin-1-ium-3-carbonitrile
IUPAC Name: 4,6-dimethyl-1-oxidopyridin-1-ium-3-carbonitrile
SYSTEMATIC NAME: 4,6-dimethyl-1-oxidanidyl-pyridin-1-ium-3-carbonitrile
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: CC1=CC(=[N+](C=C1C#N)[O-])C
Structure:
CAS RN: 7403-35-2
CAS Name: 5,8-dihydropyrimido[4,5-d]pyrimidine
OPENEYE Name: 5,8-dihydropyrimido[4,5-d]pyrimidine
IUPAC Name: 5,8-dihydropyrimido[4,5-d]pyrimidine
SYSTEMATIC NAME: 5,8-dihydropyrimido[4,5-d]pyrimidine
MOLECULAR FORMULA: C6H6N4
MOLECULAR WEIGHT: 134.13864
SMILES: C1C2=CN=CN=C2NC=N1
Structure:
CAS RN: 56438-21-2
CAS Name: 1,1-bis(3-methylbutyl)-3-phenylthiourea
OPENEYE Name: 1,1-diisopentyl-3-phenyl-thiourea
IUPAC Name: 1,1-bis(3-methylbutyl)-3-phenylthiourea
SYSTEMATIC NAME: 1,1-bis(3-methylbutyl)-3-phenyl-thiourea
MOLECULAR FORMULA: C17H28N2S
MOLECULAR WEIGHT: 292.48262
SMILES: CC(C)CCN(CCC(C)C)C(=S)NC1=CC=CC=C1
Structure:
CAS RN: 18392-42-2
CAS Name: 4,5,6,7-tetrachloro-1,3-dihydrobenzimidazole-2-thione
OPENEYE Name: 4,5,6,7-tetrachloro-1,3-dihydrobenzimidazole-2-thione
IUPAC Name: 4,5,6,7-tetrachloro-1,3-dihydrobenzimidazole-2-thione
SYSTEMATIC NAME: 4,5,6,7-tetrakis(chloranyl)-1,3-dihydrobenzimidazole-2-thione
MOLECULAR FORMULA: C7H2Cl4N2S
MOLECULAR WEIGHT: 287.98118
SMILES: C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)NC(=S)N2
Structure:
CAS RN: 13164-79-9
CAS Name: 4-amino-5-propyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 4-amino-5-propyl-2-thioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 4-amino-5-propyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 4-azanyl-5-propyl-2-sulfanylidene-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C8H11N3O2S
MOLECULAR WEIGHT: 213.25684
SMILES: CCCC1=C(NC(=S)N=C1N)C(=O)O
Structure:
CAS RN: 70862-96-3
CAS Name: 1-butyl-3-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]thiourea
OPENEYE Name: 1-butyl-3-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]thiourea
IUPAC Name: 1-butyl-3-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]thiourea
SYSTEMATIC NAME: 1-butyl-3-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]thiourea
MOLECULAR FORMULA: C14H21N7O3S
MOLECULAR WEIGHT: 367.42664
SMILES: CCCCNC(=S)NNC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 95211-46-4
CAS Name: 2,7-dimethyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 2,7-dimethyl-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 2,7-dimethyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2,7-dimethyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C12H14N2OS
MOLECULAR WEIGHT: 234.31736
SMILES: CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)C
Structure:
CAS RN: 5198-04-9
CAS Name: 4-(2-methylpropoxy)aniline
OPENEYE Name: 4-isobutoxyaniline
IUPAC Name: 4-(2-methylpropoxy)aniline
SYSTEMATIC NAME: 4-(2-methylpropoxy)aniline
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC(C)COC1=CC=C(C=C1)N
Structure:
CAS RN: 18670-37-6
CAS Name: 1-methyl-3-[[4-[[methylamino(sulfanylidene)methyl]hydrazo]-1,4-dioxobutyl]amino]thiourea
OPENEYE Name: 1-methyl-3-[[4-[2-(methylcarbamothioyl)hydrazino]-4-oxo-butanoyl]amino]thiourea
IUPAC Name: 1-methyl-3-[[4-[2-(methylcarbamothioyl)hydrazinyl]-4-oxobutanoyl]amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[[4-[2-(methylcarbamothioyl)hydrazinyl]-4-oxidanylidene-butanoyl]amino]thiourea
MOLECULAR FORMULA: C8H16N6O2S2
MOLECULAR WEIGHT: 292.38164
SMILES: CNC(=S)NNC(=O)CCC(=O)NNC(=S)NC
Structure:
CAS RN: 4730-46-5
CAS Name: 7-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-5-one
OPENEYE Name: 7-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-5-one
IUPAC Name: 7-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-5-one
SYSTEMATIC NAME: 7-azanyl-2,3-dihydro-[1,2,3]triazolo[4,5-d]pyrimidin-5-one
MOLECULAR FORMULA: C4H4N6O
MOLECULAR WEIGHT: 152.11416
SMILES: C12=NNNC1=NC(=O)N=C2N
Structure:
CAS RN: 61282-92-6
CAS Name: 5-methyl-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one
OPENEYE Name: 1-benzyl-5-methyl-2-thioxo-hexahydropyrimidin-4-one
IUPAC Name: 1-benzyl-5-methyl-2-sulfanylidene-1,3-diazinan-4-one
SYSTEMATIC NAME: 5-methyl-1-(phenylmethyl)-2-sulfanylidene-1,3-diazinan-4-one
MOLECULAR FORMULA: C12H14N2OS
MOLECULAR WEIGHT: 234.31736
SMILES: CC1CN(C(=S)NC1=O)CC2=CC=CC=C2
Structure:
CAS RN: 5750-67-4
CAS Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-bromo-5-methyl-3-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]methylideneamino]-5-(4-nitrophenyl)-4-triazolecarboxamide
OPENEYE Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methyleneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
IUPAC Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-bromo-5-methyl-3-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]methylideneamino]-5-(4-nitrophenyl)triazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-N-[[3-[(4-bromanyl-5-methyl-3-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]methylideneamino]-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxamide
MOLECULAR FORMULA: C24H19BrN12O7
MOLECULAR WEIGHT: 667.38786
SMILES: CC1=C(C(=NN1CC2=C(C=CC(=C2)C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC=C(C=C5)[N+](=O)[O-])OC)[N+](=O)[O-])Br
Structure:
CAS RN: 6944-70-3
CAS Name: 5-amino-2-methyl-1,2,4-triazine-3-thione
OPENEYE Name: 5-amino-2-methyl-1,2,4-triazine-3-thione
IUPAC Name: 5-amino-2-methyl-1,2,4-triazine-3-thione
SYSTEMATIC NAME: 5-azanyl-2-methyl-1,2,4-triazine-3-thione
MOLECULAR FORMULA: C4H6N4S
MOLECULAR WEIGHT: 142.18224
SMILES: CN1C(=S)N=C(C=N1)N
Structure:
CAS RN: 4926-23-2
CAS Name: 7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
OPENEYE Name: 7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
IUPAC Name: 7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
SYSTEMATIC NAME: 7-methyl-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
MOLECULAR FORMULA: C7H7N3S
MOLECULAR WEIGHT: 165.21558
SMILES: CC1=CC2=NNC(=S)N2C=C1
Structure:
CAS RN: 10055-99-9
CAS Name: 6-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-thione
OPENEYE Name: 6-benzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-thione
IUPAC Name: 6-benzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-thione
SYSTEMATIC NAME: 6-(phenylmethyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-thione
MOLECULAR FORMULA: C14H15N3S
MOLECULAR WEIGHT: 257.354
SMILES: C1CN(CC2=C1NC=NC2=S)CC3=CC=CC=C3
Structure:
CAS RN: 888-74-4
CAS Name: 2-amino-3-hydroxy-N-(2-naphthalenyl)propanamide
OPENEYE Name: 2-amino-3-hydroxy-N-(2-naphthyl)propanamide
IUPAC Name: 2-amino-3-hydroxy-N-naphthalen-2-ylpropanamide
SYSTEMATIC NAME: 2-azanyl-N-naphthalen-2-yl-3-oxidanyl-propanamide
MOLECULAR FORMULA: C13H14N2O2
MOLECULAR WEIGHT: 230.26246
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)C(CO)N
Structure:
CAS RN: 51984-32-8
CAS Name: 2-(2,4,5-trichlorophenoxy)acetic acid [6-[(carbamothioylhydrazinylidene)methyl]-3-pyridinyl] ester
OPENEYE Name: [6-[(carbamothioylhydrazono)methyl]-3-pyridyl] 2-(2,4,5-trichlorophenoxy)acetate
IUPAC Name: [6-[(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2,4,5-trichlorophenoxy)acetate
SYSTEMATIC NAME: [6-[(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-[2,4,5-tris(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C15H11Cl3N4O3S
MOLECULAR WEIGHT: 433.69684
SMILES: C1=CC(=NC=C1OC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)C=NNC(=S)N
Structure:
CAS RN: 42558-88-3
CAS Name: propanoic acid [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-bis(1-oxopropoxy)-2-oxolanyl]methyl ester
OPENEYE Name: [5-(2-amino-6-thioxo-3H-purin-9-yl)-3,4-di(propanoyloxy)tetrahydrofuran-2-yl]methyl propanoate
IUPAC Name: [5-(2-amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate
SYSTEMATIC NAME: [5-(2-azanyl-6-sulfanylidene-3H-purin-9-yl)-3,4-di(propanoyloxy)oxolan-2-yl]methyl propanoate
MOLECULAR FORMULA: C19H25N5O7S
MOLECULAR WEIGHT: 467.4961
SMILES: CCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CC)OC(=O)CC
Structure:
CAS RN: 76609-56-8
CAS Name: 1-[3-(dimethylamino)propyl]-3-[(3-methyl-4-phenyl-2-pyridinyl)methylideneamino]thiourea
OPENEYE Name: 1-[3-(dimethylamino)propyl]-3-[(3-methyl-4-phenyl-2-pyridyl)methyleneamino]thiourea
IUPAC Name: 1-[3-(dimethylamino)propyl]-3-[(3-methyl-4-phenylpyridin-2-yl)methylideneamino]thiourea
SYSTEMATIC NAME: 1-[3-(dimethylamino)propyl]-3-[(3-methyl-4-phenyl-pyridin-2-yl)methylideneamino]thiourea
MOLECULAR FORMULA: C19H25N5S
MOLECULAR WEIGHT: 355.5003
SMILES: CC1=C(C=CN=C1C=NNC(=S)NCCCN(C)C)C2=CC=CC=C2
Structure:
CAS RN: 2846-80-2
CAS Name: 2,5-diamino-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
OPENEYE Name: 2,5-diamino-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
IUPAC Name: 2,5-diamino-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2,5-bis(azanyl)-6-(2-hydroxyethylamino)-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C6H11N5OS
MOLECULAR WEIGHT: 201.24944
SMILES: C(CO)NC1=C(C(=S)N=C(N1)N)N
Structure:
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