CAS RN: 147527-31-9
CAS Name: 5-[1-[(3,4-dimethoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
OPENEYE Name: 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
IUPAC Name: 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
SYSTEMATIC NAME: 5-[1-(3,4-dimethoxyphenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
MOLECULAR FORMULA: C22H23N3O4S
MOLECULAR WEIGHT: 425.50072
SMILES: CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC
Structure:
CAS RN: 148714-88-9
CAS Name: 5-[1-[(3,4-dimethoxyphenyl)-oxomethyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
OPENEYE Name: 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
IUPAC Name: 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
SYSTEMATIC NAME: 5-[1-(3,4-dimethoxyphenyl)carbonyl-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
MOLECULAR FORMULA: C22H23N3O4S
MOLECULAR WEIGHT: 425.50072
SMILES: CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC
Structure:
CAS RN: 143102-31-2
CAS Name: 5-[1-[(3,4-dimethoxyphenyl)-ethyliminomethyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
OPENEYE Name: 5-[1-[C-(3,4-dimethoxyphenyl)-N-ethyl-carbonimidoyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
IUPAC Name: 5-[1-[C-(3,4-dimethoxyphenyl)-N-ethylcarbonimidoyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
SYSTEMATIC NAME: 5-[1-[C-(3,4-dimethoxyphenyl)-N-ethyl-carbonimidoyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
MOLECULAR FORMULA: C24H28N4O3S
MOLECULAR WEIGHT: 452.56912
SMILES: CCN=C(C1=CC(=C(C=C1)OC)OC)N2CCCC3=C2C=CC(=C3)C4=NNC(=O)SC4C
Structure:
CAS RN: 143102-32-3
CAS Name: 5-[1-[(3,4-dimethoxyphenyl)-ethyliminomethyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
OPENEYE Name: 5-[1-[C-(3,4-dimethoxyphenyl)-N-ethyl-carbonimidoyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
IUPAC Name: 5-[1-[C-(3,4-dimethoxyphenyl)-N-ethylcarbonimidoyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
SYSTEMATIC NAME: 5-[1-[C-(3,4-dimethoxyphenyl)-N-ethyl-carbonimidoyl]-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one
MOLECULAR FORMULA: C24H28N4O3S
MOLECULAR WEIGHT: 452.56912
SMILES: CCN=C(C1=CC(=C(C=C1)OC)OC)N2CCCC3=C2C=CC(=C3)C4=NNC(=O)SC4C
Structure:
CAS RN: 80399-22-0
CAS Name: 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetic acid [4-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-oxoethoxy]-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] ester
OPENEYE Name: [4-[2-(2-isopropyl-5-methyl-cyclohexoxy)acetyl]oxy-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] 2-(2-isopropyl-5-methyl-cyclohexoxy)acetate
IUPAC Name: [4-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]oxy-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
SYSTEMATIC NAME: [4-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoyloxy]-1,2,3,4-tetrahydrobenzo[a]anthracen-3-yl] 2-(5-methyl-2-propan-2-yl-cyclohexyl)oxyethanoate
MOLECULAR FORMULA: C42H56O6
MOLECULAR WEIGHT: 656.89044
SMILES: CC1CCC(C(C1)OCC(=O)OC2CCC3=C(C2OC(=O)COC4CC(CCC4C(C)C)C)C=CC5=CC6=CC=CC=C6C=C35)C(C)C
Structure:
CAS RN: 79513-26-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H60N10O14S
MOLECULAR WEIGHT: 1009.0922
SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)OCC6=CC=CC=C6
Structure:
CAS RN: 79513-23-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H58N10O14S
MOLECULAR WEIGHT: 947.02282
SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)OCC
Structure:
CAS RN: 79438-70-3
CAS Name: N-[[[(2,2-dimethyl-3H-benzofuran-7-yl)oxy-oxomethyl]-methylamino]octasulfanyl]-N-methylcarbamic acid (2,2-dimethyl-3H-benzofuran-7-yl) ester
OPENEYE Name: (2,2-dimethyl-3H-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-benzofuran-7-yl)oxycarbonyl-methyl-amino]octasulfanyl]-N-methyl-carbamate
IUPAC Name: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]octasulfanyl]-N-methylcarbamate
SYSTEMATIC NAME: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methyl-amino]octasulfanyl]-N-methyl-carbamate
MOLECULAR FORMULA: C24H28N2O6S8
MOLECULAR WEIGHT: 697.00892
SMILES: CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SSSSSSSSN(C)C(=O)OC3=CC=CC4=C3OC(C4)(C)C)C
Structure:
CAS RN: 77340-97-7
CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-[[(7R,8S,9S,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
OPENEYE Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-[[(7R,8S,9S,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[[(7R,8S,9S,10S)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
SYSTEMATIC NAME: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-[[(7R,8S,9S,10S)-7,8,9-tris(oxidanyl)-7,8,9,10-tetrahydrobenzo[a]pyren-10-yl]amino]-3H-purin-6-one
MOLECULAR FORMULA: C30H27N5O8
MOLECULAR WEIGHT: 585.56408
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4[C@@H]([C@@H]([C@H]([C@@H]5O)O)O)NC6=NC(=O)C7=C(N6)N(C=N7)[C@H]8[C@@H]([C@@H]([C@H](O8)CO)O)O)C=C2
Structure:
CAS RN: 75947-54-5
CAS Name: 1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
OPENEYE Name: 1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
IUPAC Name: 1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
SYSTEMATIC NAME: 1a,2,3,7b-tetrahydronaphtho[3,4-b]oxirene-2,3-diol
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: C1=CC=C2C3C(O3)C(C(C2=C1)O)O
Structure:
CAS RN: 1162-65-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12O6
MOLECULAR WEIGHT: 312.27358
SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1
Structure:
CAS RN: 37337-38-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H12O6
MOLECULAR WEIGHT: 312.27358
SMILES: COC1=C2C3=C(C(=O)CC3)C(=O)OC2=C4[C@@H]5C=CO[C@@H]5OC4=C1
Structure:
CAS RN: 6633-80-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H27NO5
MOLECULAR WEIGHT: 397.46418
SMILES: C1CC2COC3=CC=CC=C3OCCOCC4N2C(C1)COC5=CC=CC=C5O4
Structure:
CAS RN: 97045-39-1
CAS Name: 1-(triphenylmethyl)-3,6-dihydro-2H-pyridine
OPENEYE Name: 1-trityl-3,6-dihydro-2H-pyridine
IUPAC Name: 1-trityl-3,6-dihydro-2H-pyridine
SYSTEMATIC NAME: 1-(triphenylmethyl)-3,6-dihydro-2H-pyridine
MOLECULAR FORMULA: C24H23N
MOLECULAR WEIGHT: 325.44612
SMILES: C1CN(CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 96648-30-5
CAS Name: acetic acid [(2S,3S)-2-methyl-4-methylene-5-oxo-3-oxolanyl] ester
OPENEYE Name: [(2S,3S)-2-methyl-4-methylene-5-oxo-tetrahydrofuran-3-yl] acetate
IUPAC Name: [(2S,3S)-2-methyl-4-methylidene-5-oxooxolan-3-yl] acetate
SYSTEMATIC NAME: [(2S,3S)-2-methyl-4-methylidene-5-oxidanylidene-oxolan-3-yl] ethanoate
MOLECULAR FORMULA: C8H10O4
MOLECULAR WEIGHT: 170.1626
SMILES: C[C@H]1[C@H](C(=C)C(=O)O1)OC(=O)C
Structure:
CAS RN: 95594-15-3
CAS Name: 1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
OPENEYE Name: 1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxy-benzene
IUPAC Name: 1,3-dichloro-2-[methoxy(phenyl)phosphoryl]oxybenzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2-[methoxy(phenyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C13H11Cl2O3P
MOLECULAR WEIGHT: 317.104401
SMILES: COP(=O)(C1=CC=CC=C1)OC2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 92870-46-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H30O6
MOLECULAR WEIGHT: 378.4593
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)OC)C)O)O)O
Structure:
CAS RN: 91484-82-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H35BrO7
MOLECULAR WEIGHT: 647.5522
SMILES: CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)C6=CC=C(C=C6)Br)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C
Structure:
CAS RN: 91429-73-1
CAS Name: (2R)-2-amino-3-[[3,4-bis[[(2R)-2-amino-2-carboxyethyl]thio]-2-(dimethylamino)-5-hydroxyphenyl]thio]propanoic acid
OPENEYE Name: (2R)-2-amino-3-[3,4-bis[[(2R)-2-amino-2-carboxy-ethyl]sulfanyl]-2-(dimethylamino)-5-hydroxy-phenyl]sulfanyl-propanoic acid
IUPAC Name: (2R)-2-amino-3-[3,4-bis[[(2R)-2-amino-2-carboxyethyl]sulfanyl]-2-(dimethylamino)-5-hydroxyphenyl]sulfanylpropanoic acid
SYSTEMATIC NAME: (2R)-2-azanyl-3-[3,4-bis[[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl]-2-(dimethylamino)-5-oxidanyl-phenyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C17H26N4O7S3
MOLECULAR WEIGHT: 494.60594
SMILES: CN(C)C1=C(C=C(C(=C1SC[C@@H](C(=O)O)N)SC[C@@H](C(=O)O)N)O)SC[C@@H](C(=O)O)N
Structure:
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