CAS RN: 40207-03-2
CAS Name: 1-amino-3-(4-methoxyphenyl)thiourea
OPENEYE Name: 1-amino-3-(4-methoxyphenyl)thiourea
IUPAC Name: 1-amino-3-(4-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(4-methoxyphenyl)thiourea
MOLECULAR FORMULA: C8H11N3OS
MOLECULAR WEIGHT: 197.25744
SMILES: COC1=CC=C(C=C1)NC(=S)NN
Structure:
CAS RN: 13431-41-9
CAS Name: 1-amino-3-(phenylmethyl)thiourea
OPENEYE Name: 1-amino-3-benzyl-thiourea
IUPAC Name: 1-amino-3-benzylthiourea
SYSTEMATIC NAME: 1-azanyl-3-(phenylmethyl)thiourea
MOLECULAR FORMULA: C8H11N3S
MOLECULAR WEIGHT: 181.25804
SMILES: C1=CC=C(C=C1)CNC(=S)NN
Structure:
CAS RN: 66411-51-6
CAS Name: 1-amino-3-(2,4-dimethylphenyl)thiourea
OPENEYE Name: 1-amino-3-(2,4-dimethylphenyl)thiourea
IUPAC Name: 1-amino-3-(2,4-dimethylphenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(2,4-dimethylphenyl)thiourea
MOLECULAR FORMULA: C9H13N3S
MOLECULAR WEIGHT: 195.28462
SMILES: CC1=CC(=C(C=C1)NC(=S)NN)C
Structure:
CAS RN: 61988-37-2
CAS Name: 4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine
OPENEYE Name: 4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine
IUPAC Name: 4-(1,1,2,2-tetrafluoroethoxy)benzene-1,3-diamine
SYSTEMATIC NAME: 4-[1,1,2,2-tetrakis(fluoranyl)ethoxy]benzene-1,3-diamine
MOLECULAR FORMULA: C8H8F4N2O
MOLECULAR WEIGHT: 224.155533
SMILES: C1=CC(=C(C=C1N)N)OC(C(F)F)(F)F
Structure:
CAS RN: 19156-63-9
CAS Name: 2-amino-5-ethyl-3-thiophenecarboxylic acid methyl ester
OPENEYE Name: methyl 2-amino-5-ethyl-thiophene-3-carboxylate
IUPAC Name: methyl 2-amino-5-ethylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-5-ethyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C8H11NO2S
MOLECULAR WEIGHT: 185.24344
SMILES: CCC1=CC(=C(S1)N)C(=O)OC
Structure:
CAS RN: 400750-84-7
CAS Name: 2-(5-methyl-2-furanyl)aniline
OPENEYE Name: 2-(5-methyl-2-furyl)aniline
IUPAC Name: 2-(5-methylfuran-2-yl)aniline
SYSTEMATIC NAME: 2-(5-methylfuran-2-yl)aniline
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CC1=CC=C(O1)C2=CC=CC=C2N
Structure:
CAS RN: 115662-09-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H23NO2
MOLECULAR WEIGHT: 273.37002
SMILES: CC1(CCN2CCC(C3=C(C(=CC1=C32)C=O)O)(C)C)C
Structure:
CAS RN: 22706-11-2
CAS Name: 4-amino-3-phenyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-amino-3-phenyl-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-amino-3-phenyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-azanyl-3-phenyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C8H8N4S
MOLECULAR WEIGHT: 192.24092
SMILES: C1=CC=C(C=C1)C2=NNC(=S)N2N
Structure:
CAS RN: 38076-63-0
CAS Name: (2R)-2-chloro-1-(10-phenothiazinyl)-1-propanone
OPENEYE Name: (2R)-2-chloro-1-phenothiazin-10-yl-propan-1-one
IUPAC Name: (2R)-2-chloro-1-phenothiazin-10-ylpropan-1-one
SYSTEMATIC NAME: (2R)-2-chloranyl-1-phenothiazin-10-yl-propan-1-one
MOLECULAR FORMULA: C15H12ClNOS
MOLECULAR WEIGHT: 289.77988
SMILES: C[C@H](C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)Cl
Structure:
CAS RN: 38076-63-0
CAS Name: (2S)-2-chloro-1-(10-phenothiazinyl)-1-propanone
OPENEYE Name: (2S)-2-chloro-1-phenothiazin-10-yl-propan-1-one
IUPAC Name: (2S)-2-chloro-1-phenothiazin-10-ylpropan-1-one
SYSTEMATIC NAME: (2S)-2-chloranyl-1-phenothiazin-10-yl-propan-1-one
MOLECULAR FORMULA: C15H12ClNOS
MOLECULAR WEIGHT: 289.77988
SMILES: C[C@@H](C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)Cl
Structure:
CAS RN: 97174-77-1
CAS Name: 4-hydroxy-3-(phenylmethyl)-2-pyrido[1,2-a]pyrimidinone
OPENEYE Name: 3-benzyl-4-hydroxy-pyrido[1,2-a]pyrimidin-2-one
IUPAC Name: 3-benzyl-4-hydroxypyrido[1,2-a]pyrimidin-2-one
SYSTEMATIC NAME: 4-oxidanyl-3-(phenylmethyl)pyrido[1,2-a]pyrimidin-2-one
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: C1=CC=C(C=C1)CC2=C(N3C=CC=CC3=NC2=O)O
Structure:
CAS RN: 40207-02-1
CAS Name: 1-amino-3-(2-methoxyphenyl)thiourea
OPENEYE Name: 1-amino-3-(2-methoxyphenyl)thiourea
IUPAC Name: 1-amino-3-(2-methoxyphenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(2-methoxyphenyl)thiourea
MOLECULAR FORMULA: C8H11N3OS
MOLECULAR WEIGHT: 197.25744
SMILES: COC1=CC=CC=C1NC(=S)NN
Structure:
CAS RN: 57238-76-3
CAS Name: 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
OPENEYE Name: 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
IUPAC Name: 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-(chloromethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C10H9ClN2O2
MOLECULAR WEIGHT: 224.64366
SMILES: COC1=CC=C(C=C1)C2=NOC(=N2)CCl
Structure:
CAS RN: 22241-64-1
CAS Name: (2S)-2-[(4-methoxyphenoxy)methyl]oxirane
OPENEYE Name: (2S)-2-[(4-methoxyphenoxy)methyl]oxirane
IUPAC Name: (2S)-2-[(4-methoxyphenoxy)methyl]oxirane
SYSTEMATIC NAME: (2S)-2-[(4-methoxyphenoxy)methyl]oxirane
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: COC1=CC=C(C=C1)OC[C@@H]2CO2
Structure:
CAS RN: 22241-62-9
CAS Name: (2R)-2-[(4-methoxyphenoxy)methyl]oxirane
OPENEYE Name: (2R)-2-[(4-methoxyphenoxy)methyl]oxirane
IUPAC Name: (2R)-2-[(4-methoxyphenoxy)methyl]oxirane
SYSTEMATIC NAME: (2R)-2-[(4-methoxyphenoxy)methyl]oxirane
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: COC1=CC=C(C=C1)OC[C@H]2CO2
Structure:
CAS RN: 17633-81-7
CAS Name: (7aR)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
OPENEYE Name: (7aR)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
IUPAC Name: (7aR)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
SYSTEMATIC NAME: (7aR)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C[C@@]12CCC(=O)C=C1CCC2=O
Structure:
CAS RN: 176-32-9
CAS Name: (7aS)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
OPENEYE Name: (7aS)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
IUPAC Name: (7aS)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
SYSTEMATIC NAME: (7aS)-7a-methyl-2,3,6,7-tetrahydroindene-1,5-dione
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C[C@]12CCC(=O)C=C1CCC2=O
Structure:
CAS RN: 167262-68-2
CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-phenyl-4-piperidinecarboxylic acid
OPENEYE Name: 1-tert-butoxycarbonyl-4-phenyl-piperidine-4-carboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
SYSTEMATIC NAME: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-piperidine-4-carboxylic acid
MOLECULAR FORMULA: C17H23NO4
MOLECULAR WEIGHT: 305.36882
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 110254-64-3
CAS Name: 4-chloro-3-nitro-1-phenyl-2-quinolinone
OPENEYE Name: 4-chloro-3-nitro-1-phenyl-quinolin-2-one
IUPAC Name: 4-chloro-3-nitro-1-phenylquinolin-2-one
SYSTEMATIC NAME: 4-chloranyl-3-nitro-1-phenyl-quinolin-2-one
MOLECULAR FORMULA: C15H9ClN2O3
MOLECULAR WEIGHT: 300.69656
SMILES: C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)[N+](=O)[O-])Cl
Structure:
CAS RN: 108832-16-2
CAS Name: 2,4-dichloro-7-methoxy-3-phenylquinoline
OPENEYE Name: 2,4-dichloro-7-methoxy-3-phenyl-quinoline
IUPAC Name: 2,4-dichloro-7-methoxy-3-phenylquinoline
SYSTEMATIC NAME: 2,4-bis(chloranyl)-7-methoxy-3-phenyl-quinoline
MOLECULAR FORMULA: C16H11Cl2NO
MOLECULAR WEIGHT: 304.17064
SMILES: COC1=CC2=C(C=C1)C(=C(C(=N2)Cl)C3=CC=CC=C3)Cl
Structure:
CAS RN: 943-88-4
CAS Name: (E)-4-(4-methoxyphenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(4-methoxyphenyl)but-3-en-2-one
IUPAC Name: (E)-4-(4-methoxyphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(4-methoxyphenyl)but-3-en-2-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=O)/C=C/C1=CC=C(C=C1)OC
Structure:
CAS RN: 3815-30-3
CAS Name: (E)-4-(4-methoxyphenyl)-3-buten-2-one
OPENEYE Name: (E)-4-(4-methoxyphenyl)but-3-en-2-one
IUPAC Name: (E)-4-(4-methoxyphenyl)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(4-methoxyphenyl)but-3-en-2-one
MOLECULAR FORMULA: C11H12O2
MOLECULAR WEIGHT: 176.21178
SMILES: CC(=O)/C=C/C1=CC=C(C=C1)OC
Structure:
CAS RN: 10139-98-7
CAS Name: (2R)-1,1,1-trichloro-3-pyridin-4-yl-2-propanol
OPENEYE Name: (2R)-1,1,1-trichloro-3-(4-pyridyl)propan-2-ol
IUPAC Name: (2R)-1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
SYSTEMATIC NAME: (2R)-1,1,1-tris(chloranyl)-3-pyridin-4-yl-propan-2-ol
MOLECULAR FORMULA: C8H8Cl3NO
MOLECULAR WEIGHT: 240.51422
SMILES: C1=CN=CC=C1C[C@H](C(Cl)(Cl)Cl)O
Structure:
CAS RN: 10129-56-3
CAS Name: (2R)-1,1,1-trichloro-3-pyridin-4-yl-2-propanol
OPENEYE Name: (2R)-1,1,1-trichloro-3-(4-pyridyl)propan-2-ol
IUPAC Name: (2R)-1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
SYSTEMATIC NAME: (2R)-1,1,1-tris(chloranyl)-3-pyridin-4-yl-propan-2-ol
MOLECULAR FORMULA: C8H8Cl3NO
MOLECULAR WEIGHT: 240.51422
SMILES: C1=CN=CC=C1C[C@H](C(Cl)(Cl)Cl)O
Structure:
CAS RN: 101398-40-7
CAS Name: (2S)-1,1,1-trichloro-3-pyridin-4-yl-2-propanol
OPENEYE Name: (2S)-1,1,1-trichloro-3-(4-pyridyl)propan-2-ol
IUPAC Name: (2S)-1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
SYSTEMATIC NAME: (2S)-1,1,1-tris(chloranyl)-3-pyridin-4-yl-propan-2-ol
MOLECULAR FORMULA: C8H8Cl3NO
MOLECULAR WEIGHT: 240.51422
SMILES: C1=CN=CC=C1C[C@@H](C(Cl)(Cl)Cl)O
Structure:
CAS RN: 10129-56-3
CAS Name: (2S)-1,1,1-trichloro-3-pyridin-4-yl-2-propanol
OPENEYE Name: (2S)-1,1,1-trichloro-3-(4-pyridyl)propan-2-ol
IUPAC Name: (2S)-1,1,1-trichloro-3-pyridin-4-ylpropan-2-ol
SYSTEMATIC NAME: (2S)-1,1,1-tris(chloranyl)-3-pyridin-4-yl-propan-2-ol
MOLECULAR FORMULA: C8H8Cl3NO
MOLECULAR WEIGHT: 240.51422
SMILES: C1=CN=CC=C1C[C@@H](C(Cl)(Cl)Cl)O
Structure:
CAS RN: 51818-98-5
CAS Name: (2S)-1',3',3'-trimethyl-8-nitrospiro[1-benzopyran-2,2'-indole]
OPENEYE Name: (2S)-1',3',3'-trimethyl-8-nitro-spiro[chromene-2,2'-indoline]
IUPAC Name: (2S)-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
SYSTEMATIC NAME: (2S)-1',3',3'-trimethyl-8-nitro-spiro[chromene-2,2'-indole]
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CC1(C2=CC=CC=C2N([C@]13C=CC4=C(O3)C(=CC=C4)[N+](=O)[O-])C)C
Structure:
CAS RN: 6274-79-9
CAS Name: (R)-cyclopropyl-(4-methoxyphenyl)-phenylmethanol
OPENEYE Name: (R)-cyclopropyl-(4-methoxyphenyl)-phenyl-methanol
IUPAC Name: (R)-cyclopropyl-(4-methoxyphenyl)-phenylmethanol
SYSTEMATIC NAME: (R)-cyclopropyl-(4-methoxyphenyl)-phenyl-methanol
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: COC1=CC=C(C=C1)[C@@](C2CC2)(C3=CC=CC=C3)O
Structure:
CAS RN: 6274-78-8
CAS Name: (S)-cyclopropyl-(4-methoxyphenyl)-phenylmethanol
OPENEYE Name: (S)-cyclopropyl-(4-methoxyphenyl)-phenyl-methanol
IUPAC Name: (S)-cyclopropyl-(4-methoxyphenyl)-phenylmethanol
SYSTEMATIC NAME: (S)-cyclopropyl-(4-methoxyphenyl)-phenyl-methanol
MOLECULAR FORMULA: C17H18O2
MOLECULAR WEIGHT: 254.32362
SMILES: COC1=CC=C(C=C1)[C@](C2CC2)(C3=CC=CC=C3)O
Structure:
CAS RN: 51349-63-4
CAS Name: (3R,6R)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
OPENEYE Name: (3R,6R)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
IUPAC Name: (3R,6R)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
SYSTEMATIC NAME: (3R,6R)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
MOLECULAR FORMULA: C8H14N2O4
MOLECULAR WEIGHT: 202.20776
SMILES: C(CO)[C@@H]1C(=O)N[C@@H](C(=O)N1)CCO
Structure:
CAS RN: 51347-05-8
CAS Name: (3R,6S)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
OPENEYE Name: (3R,6S)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
IUPAC Name: (3R,6S)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
SYSTEMATIC NAME: (3R,6S)-3,6-bis(2-hydroxyethyl)piperazine-2,5-dione
MOLECULAR FORMULA: C8H14N2O4
MOLECULAR WEIGHT: 202.20776
SMILES: C(CO)[C@@H]1C(=O)N[C@H](C(=O)N1)CCO
Structure:
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