Product OPENEYE NAME: diethyl (2E)-2-(dimethylaminomethylene)-3-oxo-butanedioate
CAS Name: (2E)-2-(dimethylaminomethylidene)-3-oxobutanedioic acid diethyl ester
IUPAC NAME: diethyl (2E)-2-(dimethylaminomethylidene)-3-oxobutanedioate
SYSTEMATIC NAME: diethyl (2E)-2-(dimethylaminomethylidene)-3-oxidanylidene-butanedioate
MOLECULAR FORMULA: C11H17NO5
MOLECULAR WEIGHT: 243.25638
SMILES: CCOC(=O)/C(=C/N(C)C)/C(=O)C(=O)OCC
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MOLECULAR FORMULA: C22H16O2
MOLECULAR WEIGHT: 312.36124
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=CC=CC=C5[C@H]([C@H]4O)O
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Product OPENEYE NAME: (E)-methoxy-[(5Z)-3-methyl-5-(phenylazomethylene)thiadiazol-3-ium-4-ylidene]methanolate
CAS Name: (E)-methoxy-[(5Z)-3-methyl-5-(phenyldiazenylmethylidene)-4-thiadiazol-3-iumylidene]methanolate
IUPAC NAME: (E)-methoxy-[(5Z)-3-methyl-5-(phenyldiazenylmethylidene)thiadiazol-3-ium-4-ylidene]methanolate
SYSTEMATIC NAME: (E)-methoxy-[(5Z)-3-methyl-5-(phenyldiazenylmethylidene)-1,2,3-thiadiazol-3-ium-4-ylidene]methanolate
MOLECULAR FORMULA: C12H12N4O2S
MOLECULAR WEIGHT: 276.31428
SMILES: C[N+]\1=NS/C(=C\N=NC2=CC=CC=C2)/C1=C(/[O-])\OC
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MOLECULAR FORMULA: C21H22N2OS
MOLECULAR WEIGHT: 350.47718
SMILES: C1CC[C@@H]2[C@@H](C1)CN3C(=NOC3(S2)C4=CC=CC=C4)C5=CC=CC=C5
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Product OPENEYE NAME: 5-isocyano-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CAS Name: 5-isocyano-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC NAME: 5-isocyano-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-isocyano-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C6H2N4OS
MOLECULAR WEIGHT: 178.17128
SMILES: [C-]#[N+]C1=CC(=O)N=C2N1N=CS2
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Product OPENEYE NAME: 5-isocyano-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CAS Name: 5-isocyano-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC NAME: 5-isocyano-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-isocyano-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C7H4N4OS
MOLECULAR WEIGHT: 192.19786
SMILES: CC1=NN2C(=CC(=O)N=C2S1)[N+]#[C-]
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Product OPENEYE NAME: 5-isocyano-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
CAS Name: 5-isocyano-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
IUPAC NAME: 5-isocyano-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-isocyano-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C12H6N4OS
MOLECULAR WEIGHT: 254.26724
SMILES: [C-]#[N+]C1=CC(=O)N=C2N1N=C(S2)C3=CC=CC=C3
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Product OPENEYE NAME: 5-isocyanothiazolo[3,2-a]pyrimidin-7-one
CAS Name: 5-isocyano-7-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 5-isocyano-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-isocyano-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MOLECULAR FORMULA: C7H3N3OS
MOLECULAR WEIGHT: 177.18322
SMILES: [C-]#[N+]C1=CC(=O)N=C2N1C=CS2
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Product OPENEYE NAME: 4-isocyanopyrimido[2,1-b][1,3]benzothiazol-2-one
CAS Name: 4-isocyano-2-pyrimido[2,1-b][1,3]benzothiazolone
IUPAC NAME: 4-isocyanopyrimido[2,1-b][1,3]benzothiazol-2-one
SYSTEMATIC NAME: 4-isocyanopyrimido[2,1-b][1,3]benzothiazol-2-one
MOLECULAR FORMULA: C11H5N3OS
MOLECULAR WEIGHT: 227.2419
SMILES: [C-]#[N+]C1=CC(=O)N=C2N1C3=CC=CC=C3S2
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Product OPENEYE NAME: 5-chloro-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-pyridazin-3-one
CAS Name: 5-chloro-4-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-2-methyl-3-pyridazinone
IUPAC NAME: 5-chloro-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
SYSTEMATIC NAME: 5-chloranyl-4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-pyridazin-3-one
MOLECULAR FORMULA: C10H14ClN3O2
MOLECULAR WEIGHT: 243.69006
SMILES: CN1C(=O)C(=C(C=N1)Cl)N2CCC[C@H]2CO
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Product OPENEYE NAME: 2-[3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propyl]-4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridazin-3-one
CAS Name: 4-chloro-2-[3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(phenylmethyl)amino]propyl]-5-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]-3-pyridazinone
IUPAC NAME: 2-[3-[benzyl(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)amino]propyl]-4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridazin-3-one
SYSTEMATIC NAME: 4-chloranyl-2-[3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl-(phenylmethyl)amino]propyl]-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyridazin-3-one
MOLECULAR FORMULA: C28H33ClN4O4
MOLECULAR WEIGHT: 525.03902
SMILES: C1C[C@H](N(C1)C2=C(C(=O)N(N=C2)CCCN(CC3COC4=CC=CC=C4O3)CC5=CC=CC=C5)Cl)CO
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MOLECULAR FORMULA: C10H13N3O2
MOLECULAR WEIGHT: 207.22912
SMILES: CN1C(=O)C2=C(C=N1)N3CCC[C@H]3CO2
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MOLECULAR FORMULA: C28H32N4O4
MOLECULAR WEIGHT: 488.57808
SMILES: C1C[C@H]2COC3=C(N2C1)C=NN(C3=O)CCCN(CC4COC5=CC=CC=C5O4)CC6=CC=CC=C6
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MOLECULAR FORMULA: C21H26N4O4
MOLECULAR WEIGHT: 398.45554
SMILES: C1C[C@H]2COC3=C(N2C1)C=NN(C3=O)CCCNCC4COC5=CC=CC=C5O4
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