CAS RN: 29261-16-3
CAS Name: (Z)-2-diazonio-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]ethenolate
OPENEYE Name: (Z)-1-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-diazonio-ethenolate
IUPAC Name: (Z)-2-diazonio-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]ethenolate
SYSTEMATIC NAME: (Z)-2-diazonio-1-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]ethenolate
MOLECULAR FORMULA: C12H13N3O3
MOLECULAR WEIGHT: 247.24992
SMILES: COC(=O)[C@H](CC1=CC=CC=C1)N/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 26437-27-4
CAS Name: 4-[2-(2-imidazolylidene)hydrazinyl]benzaldehyde
OPENEYE Name: 4-(2-imidazol-2-ylidenehydrazino)benzaldehyde
IUPAC Name: 4-(2-imidazol-2-ylidenehydrazinyl)benzaldehyde
SYSTEMATIC NAME: 4-(2-imidazol-2-ylidenehydrazinyl)benzaldehyde
MOLECULAR FORMULA: C10H8N4O
MOLECULAR WEIGHT: 200.19672
SMILES: C1=CC(=CC=C1C=O)NN=C2N=CC=N2
Structure:
CAS RN: 19769-31-4
CAS Name: 6-methylsulfinyl-7H-purine
OPENEYE Name: 6-methylsulfinyl-7H-purine
IUPAC Name: 6-methylsulfinyl-7H-purine
SYSTEMATIC NAME: 6-methylsulfinyl-7H-purine
MOLECULAR FORMULA: C6H6N4OS
MOLECULAR WEIGHT: 182.20304
SMILES: CS(=O)C1=NC=NC2=C1NC=N2
Structure:
CAS RN: 17676-51-6
CAS Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R)-3,4,5-trihydroxy-1-oxopentan-2-yl]oxy-2-oxanecarboxylic acid
OPENEYE Name: (2S,3S,4S,5R,6S)-6-[(1R,2S,3R)-1-formyl-2,3,4-trihydroxy-butoxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2R,3S,4R)-3,4,5-trihydroxy-1-oxopentan-2-yl]oxyoxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,3S,4S,5R,6S)-3,4,5-tris(oxidanyl)-6-[(2R,3S,4R)-3,4,5-tris(oxidanyl)-1-oxidanylidene-pentan-2-yl]oxy-oxane-2-carboxylic acid
MOLECULAR FORMULA: C11H18O11
MOLECULAR WEIGHT: 326.25402
SMILES: C([C@H]([C@@H]([C@H](C=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)O
Structure:
CAS RN: 15914-68-8
CAS Name: 7-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-5-hydroxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-methoxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O14
MOLECULAR WEIGHT: 578.5187
SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O
Structure:
CAS RN: 15682-12-9
CAS Name: [1-[3-(dimethylamino)propyl]-4-pyridinylidene]methyl-oxoammonium chloride hydrochloride
OPENEYE Name: [1-[3-(dimethylamino)propyl]-4-pyridylidene]methyl-oxo-ammonium chloride hydrochloride
IUPAC Name: [1-[3-(dimethylamino)propyl]pyridin-4-ylidene]methyl-oxoazanium chloride hydrochloride
SYSTEMATIC NAME: [1-[3-(dimethylamino)propyl]pyridin-4-ylidene]methyl-oxidanylidene-azanium chloride hydrochloride
MOLECULAR FORMULA: C11H19Cl2N3O
MOLECULAR WEIGHT: 280.19406
SMILES: CN(C)CCCN1C=CC(=C[NH+]=O)C=C1.Cl.[Cl-]
Structure:
CAS RN: 10119-00-3
CAS Name: (Z,3S)-1-diazonio-3-[(4-methylphenyl)sulfonylamino]-4-phenyl-1-buten-2-olate
OPENEYE Name: (Z,3S)-1-diazonio-4-phenyl-3-(p-tolylsulfonylamino)but-1-en-2-olate
IUPAC Name: (Z,3S)-1-diazonio-3-[(4-methylphenyl)sulfonylamino]-4-phenylbut-1-en-2-olate
SYSTEMATIC NAME: (Z,3S)-1-diazonio-3-[(4-methylphenyl)sulfonylamino]-4-phenyl-but-1-en-2-olate
MOLECULAR FORMULA: C17H17N3O3S
MOLECULAR WEIGHT: 343.40018
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)/C(=C/[N+]#N)/[O-]
Structure:
CAS RN: 10022-81-8
CAS Name: 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester
OPENEYE Name: methyl 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylate
IUPAC Name: methyl 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylate
SYSTEMATIC NAME: methyl 1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole-3-carboxylate
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: CC1=C2C(=C3C=CC=CC3=N2)CC(N1)C(=O)OC
Structure:
CAS RN: 140158-49-2
CAS Name: (2S)-2-[[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-1-oxopropyl]amino]-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]amino]-3-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-amino-1,5-dioxopentyl]am
OPENEYE Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-3-carboxy-propanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-5-amino-5-oxo-pentanoyl]amino]-3-(1H-in
IUPAC Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-(1H-indol-
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-azanyl-5-oxidanylide
MOLECULAR FORMULA: C53H79N13O17
MOLECULAR WEIGHT: 1170.27126
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C
Structure:
CAS RN: 154037-50-0
CAS Name: (6Z)-6-[4-(hydroxymethyl)-3H-thiazol-2-ylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[4-(hydroxymethyl)-3H-thiazol-2-ylidene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[4-(hydroxymethyl)-3H-1,3-thiazol-2-ylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[4-(hydroxymethyl)-3H-1,3-thiazol-2-ylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C10H9NO2S
MOLECULAR WEIGHT: 207.24896
SMILES: C1=C/C(=C/2\NC(=CS2)CO)/C(=O)C=C1
Structure:
CAS RN: 152633-54-0
CAS Name: 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
OPENEYE Name: 5-methyl-6-(4-pyridyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
IUPAC Name: 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SYSTEMATIC NAME: 5-methyl-6-pyridin-4-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
MOLECULAR FORMULA: C12H10N4O
MOLECULAR WEIGHT: 226.234
SMILES: CC1=NC2=C(C=C1C3=CC=NC=C3)NC(=O)N2
Structure:
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