CAS RN: 603-87-2
CAS Name: 2-amino-6-nitrophenol
OPENEYE Name: 2-amino-6-nitro-phenol
IUPAC Name: 2-amino-6-nitrophenol
SYSTEMATIC NAME: 2-azanyl-6-nitro-phenol
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])O)N
Structure:
CAS RN: 16152-18-4
CAS Name: 5-methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
OPENEYE Name: 5-methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
IUPAC Name: 5-methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
SYSTEMATIC NAME: 5-methyl-4-phenyl-1,3,4-thiadiazol-4-ium-2-thiolate
MOLECULAR FORMULA: C9H8N2S2
MOLECULAR WEIGHT: 208.30322
SMILES: CC1=[N+](N=C(S1)[S-])C2=CC=CC=C2
Structure:
CAS RN: 4244-55-7
CAS Name: 8-[hydroxy(phenyl)methyl]-3,7-dihydropurine-6-thione
OPENEYE Name: 8-[hydroxy(phenyl)methyl]-3,7-dihydropurine-6-thione
IUPAC Name: 8-[hydroxy(phenyl)methyl]-3,7-dihydropurine-6-thione
SYSTEMATIC NAME: 8-[oxidanyl(phenyl)methyl]-3,7-dihydropurine-6-thione
MOLECULAR FORMULA: C12H10N4OS
MOLECULAR WEIGHT: 258.299
SMILES: C1=CC=C(C=C1)C(C2=NC3=C(N2)C(=S)N=CN3)O
Structure:
CAS RN: 4244-54-6
CAS Name: 8-[hydroxy(phenyl)methyl]-3,7-dihydropurin-6-one
OPENEYE Name: 8-[hydroxy(phenyl)methyl]-3,7-dihydropurin-6-one
IUPAC Name: 8-[hydroxy(phenyl)methyl]-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 8-[oxidanyl(phenyl)methyl]-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C12H10N4O2
MOLECULAR WEIGHT: 242.2334
SMILES: C1=CC=C(C=C1)C(C2=NC3=C(N2)C(=O)N=CN3)O
Structure:
CAS RN: 21878-60-4
CAS Name: N-(3,4-dichlorophenyl)carbamodithioic acid 2-furanylmethyl ester
OPENEYE Name: 2-furylmethyl N-(3,4-dichlorophenyl)carbamodithioate
IUPAC Name: furan-2-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
SYSTEMATIC NAME: furan-2-ylmethyl N-(3,4-dichlorophenyl)carbamodithioate
MOLECULAR FORMULA: C12H9Cl2NOS2
MOLECULAR WEIGHT: 318.24196
SMILES: C1=COC(=C1)CSC(=S)NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 886365-88-4
CAS Name: 5-bromo-N-phenyl-2-pyrimidinamine
OPENEYE Name: 5-bromo-N-phenyl-pyrimidin-2-amine
IUPAC Name: 5-bromo-N-phenylpyrimidin-2-amine
SYSTEMATIC NAME: 5-bromanyl-N-phenyl-pyrimidin-2-amine
MOLECULAR FORMULA: C10H8BrN3
MOLECULAR WEIGHT: 250.09462
SMILES: C1=CC=C(C=C1)NC2=NC=C(C=N2)Br
Structure:
CAS RN: 93408-99-2
CAS Name: N-methylcarbamodithioic acid (2,3,4,5,6-pentachlorophenyl) ester
OPENEYE Name: (2,3,4,5,6-pentachlorophenyl) N-methylcarbamodithioate
IUPAC Name: (2,3,4,5,6-pentachlorophenyl) N-methylcarbamodithioate
SYSTEMATIC NAME: [2,3,4,5,6-pentakis(chloranyl)phenyl] N-methylcarbamodithioate
MOLECULAR FORMULA: C8H4Cl5NS2
MOLECULAR WEIGHT: 355.51906
SMILES: CNC(=S)SC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 21326-08-9
CAS Name: 5-[(4-bromophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-[(4-bromophenyl)methyl]-6-(dimethoxymethyl)-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-[(4-bromophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-[(4-bromophenyl)methyl]-6-(dimethoxymethyl)-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C14H15BrN2O3S
MOLECULAR WEIGHT: 371.2495
SMILES: COC(C1=C(C(=O)NC(=S)N1)CC2=CC=C(C=C2)Br)OC
Structure:
CAS RN: 14627-83-9
CAS Name: N-(benzenesulfonyl)carbamothioic acid O-ethyl ester
OPENEYE Name: O-ethyl N-(benzenesulfonyl)carbamothioate
IUPAC Name: O-ethyl N-(benzenesulfonyl)carbamothioate
SYSTEMATIC NAME: O-ethyl N-(phenylsulfonyl)carbamothioate
MOLECULAR FORMULA: C9H11NO3S2
MOLECULAR WEIGHT: 245.31854
SMILES: CCOC(=S)NS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 305801-12-1
CAS Name: 4-(2-fluorophenoxy)aniline
OPENEYE Name: 4-(2-fluorophenoxy)aniline
IUPAC Name: 4-(2-fluorophenoxy)aniline
SYSTEMATIC NAME: 4-(2-fluoranylphenoxy)aniline
MOLECULAR FORMULA: C12H10FNO
MOLECULAR WEIGHT: 203.212303
SMILES: C1=CC=C(C(=C1)OC2=CC=C(C=C2)N)F
Structure:
CAS RN: 114747-45-4
CAS Name: 1',3',3'-trimethyl-6-(1-piperidinyl)spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
OPENEYE Name: 1',3',3'-trimethyl-6-(1-piperidyl)spiro[benzo[f][1,4]benzoxazine-3,2'-indoline]
IUPAC Name: 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
SYSTEMATIC NAME: 1',3',3'-trimethyl-6-piperidin-1-yl-spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
MOLECULAR FORMULA: C27H29N3O
MOLECULAR WEIGHT: 411.53866
SMILES: CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCCCC6)C)C
Structure:
CAS RN: 149140-06-7
CAS Name: 1',3',3'-trimethyl-6-(1-piperidinyl)spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
OPENEYE Name: 1',3',3'-trimethyl-6-(1-piperidyl)spiro[benzo[f][1,4]benzoxazine-3,2'-indoline]
IUPAC Name: 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
SYSTEMATIC NAME: 1',3',3'-trimethyl-6-piperidin-1-yl-spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
MOLECULAR FORMULA: C27H29N3O
MOLECULAR WEIGHT: 411.53866
SMILES: CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCCCC6)C)C
Structure:
CAS RN: 885677-14-5
CAS Name: 1',3',3'-trimethyl-6-(1-piperidinyl)spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
OPENEYE Name: 1',3',3'-trimethyl-6-(1-piperidyl)spiro[benzo[f][1,4]benzoxazine-3,2'-indoline]
IUPAC Name: 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
SYSTEMATIC NAME: 1',3',3'-trimethyl-6-piperidin-1-yl-spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
MOLECULAR FORMULA: C27H29N3O
MOLECULAR WEIGHT: 411.53866
SMILES: CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCCCC6)C)C
Structure:
CAS RN: 891787-37-4
CAS Name: 1',3',3'-trimethyl-6-(1-piperidinyl)spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
OPENEYE Name: 1',3',3'-trimethyl-6-(1-piperidyl)spiro[benzo[f][1,4]benzoxazine-3,2'-indoline]
IUPAC Name: 1',3',3'-trimethyl-6-piperidin-1-ylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
SYSTEMATIC NAME: 1',3',3'-trimethyl-6-piperidin-1-yl-spiro[benzo[f][1,4]benzoxazine-3,2'-indole]
MOLECULAR FORMULA: C27H29N3O
MOLECULAR WEIGHT: 411.53866
SMILES: CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCCCC6)C)C
Structure:
CAS RN: 91142-03-9
CAS Name: 2-amino-6-(4-methylanilino)-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-6-(4-methylanilino)-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-6-(4-methylanilino)-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-6-[(4-methylphenyl)amino]-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C11H12N4S
MOLECULAR WEIGHT: 232.30478
SMILES: CC1=CC=C(C=C1)NC2=CC(=S)N=C(N2)N
Structure:
CAS RN: 6307-42-2
CAS Name: 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-5-bromo-6-methyl-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-5-bromanyl-6-methyl-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C5H6BrN3S
MOLECULAR WEIGHT: 220.09024
SMILES: CC1=C(C(=S)N=C(N1)N)Br
Structure:
CAS RN: 16567-04-7
CAS Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxido-3-pyridin-1-iumol
OPENEYE Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxido-pyridin-1-ium-3-ol
IUPAC Name: 4,5-bis(hydroxymethyl)-2-methyl-1-oxidopyridin-1-ium-3-ol
SYSTEMATIC NAME: 4,5-bis(hydroxymethyl)-2-methyl-1-oxidanidyl-pyridin-1-ium-3-ol
MOLECULAR FORMULA: C8H11NO4
MOLECULAR WEIGHT: 185.17724
SMILES: CC1=[N+](C=C(C(=C1O)CO)CO)[O-]
Structure:
CAS RN: 22826-69-3
CAS Name: 2,5-diazido-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-diazido-3,6-dimethoxy-1,4-benzoquinone
IUPAC Name: 2,5-diazido-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-diazido-3,6-dimethoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C8H6N6O4
MOLECULAR WEIGHT: 250.17104
SMILES: COC1=C(C(=O)C(=C(C1=O)N=[N+]=[N-])OC)N=[N+]=[N-]
Structure:
CAS RN: 52417-22-8
CAS Name: 9-acridin-10-iumamine
OPENEYE Name: acridin-10-ium-9-amine
IUPAC Name: acridin-10-ium-9-amine
SYSTEMATIC NAME: acridin-10-ium-9-amine
MOLECULAR FORMULA: C13H11N2+
MOLECULAR WEIGHT: 195.23984
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)N
Structure:
CAS RN: 202131-32-6
CAS Name: 3-amino-3-(3-phenoxyphenyl)propanoic acid
OPENEYE Name: 3-amino-3-(3-phenoxyphenyl)propanoic acid
IUPAC Name: 3-amino-3-(3-phenoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-azanyl-3-(3-phenoxyphenyl)propanoic acid
MOLECULAR FORMULA: C15H15NO3
MOLECULAR WEIGHT: 257.2845
SMILES: C1=CC=C(C=C1)OC2=CC=CC(=C2)C(CC(=O)O)N
Structure:
CAS RN: 42472-69-5
CAS Name: 1-(4-ethynylphenyl)ethanone
OPENEYE Name: 1-(4-ethynylphenyl)ethanone
IUPAC Name: 1-(4-ethynylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-ethynylphenyl)ethanone
MOLECULAR FORMULA: C10H8O
MOLECULAR WEIGHT: 144.16992
SMILES: CC(=O)C1=CC=C(C=C1)C#C
Structure:
CAS RN: 89415-36-1
CAS Name: 2-amino-3-methyl-7H-purine-6-thione
OPENEYE Name: 2-amino-3-methyl-7H-purine-6-thione
IUPAC Name: 2-amino-3-methyl-7H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-3-methyl-7H-purine-6-thione
MOLECULAR FORMULA: C6H7N5S
MOLECULAR WEIGHT: 181.21828
SMILES: CN1C2=C(C(=S)N=C1N)NC=N2
Structure:
CAS RN: 25979-01-5
CAS Name: 5-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazol-3-amine
OPENEYE Name: 5-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazol-3-amine
IUPAC Name: 5-(1,1,2,2,2-pentafluoroethyl)-1H-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 5-[1,1,2,2,2-pentakis(fluoranyl)ethyl]-1H-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C4H3F5N4
MOLECULAR WEIGHT: 202.085436
SMILES: C1(=NC(=NN1)N)C(C(F)(F)F)(F)F
Structure:
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