CAS RN: 120382-14-1
CAS Name: 1-chloro-11-[2-(1-methyl-4-piperidinyl)-1-oxoethyl]-5H-benzo[b][1,4]benzodiazepin-6-one hydrochloride
OPENEYE Name: 1-chloro-11-[2-(1-methyl-4-piperidyl)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one hydrochloride
IUPAC Name: 1-chloro-11-[2-(1-methylpiperidin-4-yl)acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one hydrochloride
SYSTEMATIC NAME: 1-chloranyl-11-[2-(1-methylpiperidin-4-yl)ethanoyl]-5H-benzo[b][1,4]benzodiazepin-6-one hydrochloride
MOLECULAR FORMULA: C21H23Cl2N3O2
MOLECULAR WEIGHT: 420.33222
SMILES: CN1CCC(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2C(=CC=C4)Cl.Cl
Structure:
CAS RN: 105888-54-8
CAS Name: 2,3-dichloro-5-[(4S)-6,8-dichloro-4H-1,3-benzodioxin-4-yl]-4-nitro-1H-pyrrole
OPENEYE Name: 2,3-dichloro-5-[(4S)-6,8-dichloro-4H-1,3-benzodioxin-4-yl]-4-nitro-1H-pyrrole
IUPAC Name: 2,3-dichloro-5-[(4S)-6,8-dichloro-4H-1,3-benzodioxin-4-yl]-4-nitro-1H-pyrrole
SYSTEMATIC NAME: 2-[(4S)-6,8-bis(chloranyl)-4H-1,3-benzodioxin-4-yl]-4,5-bis(chloranyl)-3-nitro-1H-pyrrole
MOLECULAR FORMULA: C12H6Cl4N2O4
MOLECULAR WEIGHT: 383.99904
SMILES: C1O[C@@H](C2=CC(=CC(=C2O1)Cl)Cl)C3=C(C(=C(N3)Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 105877-77-8
CAS Name: 4-[[(4R)-4-[(3R,5S,7S,10S,13R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-oxopentyl]amino]benzoic acid
OPENEYE Name: 4-[[(4R)-4-[(3R,5S,7S,10S,13R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]benzoic acid
IUPAC Name: 4-[[(4R)-4-[(3R,5S,7S,10S,13R,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]benzoic acid
SYSTEMATIC NAME: 4-[[(4R)-4-[(3R,5S,7S,10S,13R,17S)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]benzoic acid
MOLECULAR FORMULA: C31H45NO5
MOLECULAR WEIGHT: 511.6927
SMILES: C[C@H](CCC(=O)NC1=CC=C(C=C1)C(=O)O)[C@@H]2CCC3[C@@]2(CCC4C3[C@H](C[C@H]5[C@@]4(CC[C@H](C5)O)C)O)C
Structure:
CAS RN: 105868-85-7
CAS Name: 2-amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one
OPENEYE Name: 2-amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one
IUPAC Name: 2-amino-9-[4-hydroxy-2-(hydroxymethyl)butyl]-3H-purin-6-one
SYSTEMATIC NAME: 2-azanyl-9-[2-(hydroxymethyl)-4-oxidanyl-butyl]-3H-purin-6-one
MOLECULAR FORMULA: C10H15N5O3
MOLECULAR WEIGHT: 253.2578
SMILES: C1=NC2=C(N1CC(CCO)CO)NC(=NC2=O)N
Structure:
CAS RN: 120375-63-5
CAS Name: acetyl-(6-oxo-1-cyclohexa-2,4-dienylidene)ammonium; arsenic(3+); 2,3-dimethylbutane-2,3-diolate
OPENEYE Name: acetyl-(6-oxocyclohexa-2,4-dien-1-ylidene)ammonium; arsenic(3+); 2,3-dimethylbutane-2,3-diolate
IUPAC Name: acetyl-(6-oxocyclohexa-2,4-dien-1-ylidene)azanium; arsenic(3+); 2,3-dimethylbutane-2,3-diolate
SYSTEMATIC NAME: arsenic(3+); 2,3-dimethylbutane-2,3-diolate; ethanoyl-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)azanium
MOLECULAR FORMULA: C20H32AsNO6
MOLECULAR WEIGHT: 457.39278
SMILES: CC(=O)[NH+]=C1C=CC=CC1=O.CC(C)(C(C)(C)[O-])[O-].CC(C)(C(C)(C)[O-])[O-].[As+3]
Structure:
CAS RN: 105847-66-3
CAS Name: 1-(2-hydroxyethoxymethyl)-5-[[3-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[[3-[(4-benzyloxyphenyl)methoxy]phenyl]methyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-[[3-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(2-hydroxyethyloxymethyl)-5-[[3-[(4-phenylmethoxyphenyl)methoxy]phenyl]methyl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C28H28N2O6
MOLECULAR WEIGHT: 488.53172
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)COC3=CC=CC(=C3)CC4=CN(C(=O)NC4=O)COCCO
Structure:
CAS RN: 105834-00-2
CAS Name: (2S,3R,4S,5R)-2-[6-[2-(4-amino-3-iodophenyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: (2S,3R,4S,5R)-2-[6-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: (2S,3R,4S,5R)-2-[6-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-[6-[2-(4-azanyl-3-iodanyl-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C18H21IN6O4
MOLECULAR WEIGHT: 512.30161
SMILES: C1=CC(=C(C=C1CCNC2=NC=NC3=C2N=CN3[C@@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)I)N
Structure:
CAS RN: 120372-42-1
CAS Name: 6-amino-4,4,5,7,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-2-one
OPENEYE Name: 6-amino-4,4,5,7,8-pentamethyl-chroman-2-one
IUPAC Name: 6-amino-4,4,5,7,8-pentamethyl-3H-chromen-2-one
SYSTEMATIC NAME: 6-azanyl-4,4,5,7,8-pentamethyl-3H-chromen-2-one
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CC1=C(C(=C2C(=C1C)OC(=O)CC2(C)C)C)N
Structure:
CAS RN: 105831-46-7
CAS Name: (2S)-2-[[(2R)-4-(hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl]amino]-3-phenylpropanoic acid
OPENEYE Name: (2S)-2-[[(2R)-2-benzyl-4-(hydroxyamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid
IUPAC Name: (2S)-2-[[(2R)-2-benzyl-4-(hydroxyamino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2R)-4-(oxidanylamino)-4-oxidanylidene-2-(phenylmethyl)butanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C20H22N2O5
MOLECULAR WEIGHT: 370.39908
SMILES: C1=CC=C(C=C1)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 105823-04-9
CAS Name: (6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran
OPENEYE Name: (6aR,10aR)-3-(1,1-dimethylheptyl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromene
IUPAC Name: (6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
SYSTEMATIC NAME: (6aR,10aR)-6,6,9-trimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
MOLECULAR FORMULA: C25H38O
MOLECULAR WEIGHT: 354.56862
SMILES: CCCCCCC(C)(C)C1=CC2=C(C=C1)[C@@H]3CC(=CC[C@H]3C(O2)(C)C)C
Structure:
CAS RN: 120362-26-7
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboximidic acid ethyl ester
OPENEYE Name: ethyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboximidate
IUPAC Name: ethyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidate
SYSTEMATIC NAME: ethyl 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidate
MOLECULAR FORMULA: C10H16N4O5
MOLECULAR WEIGHT: 272.25784
SMILES: CCOC(=N)C1=NN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 120362-25-6
CAS Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboximidic acid methyl ester
OPENEYE Name: methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboximidate
IUPAC Name: methyl 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidate
SYSTEMATIC NAME: methyl 1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidate
MOLECULAR FORMULA: C9H14N4O5
MOLECULAR WEIGHT: 258.23126
SMILES: COC(=N)C1=NN(C=N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
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