CAS RN: 59079-41-3
CAS Name: N-[3-(3,4-dimethoxyphenyl)propyl]-2-phenylacetamide
OPENEYE Name: N-[3-(3,4-dimethoxyphenyl)propyl]-2-phenyl-acetamide
IUPAC Name: N-[3-(3,4-dimethoxyphenyl)propyl]-2-phenylacetamide
SYSTEMATIC NAME: N-[3-(3,4-dimethoxyphenyl)propyl]-2-phenyl-ethanamide
MOLECULAR FORMULA: C19H23NO3
MOLECULAR WEIGHT: 313.39082
SMILES: COC1=C(C=C(C=C1)CCCNC(=O)CC2=CC=CC=C2)OC
Structure:
CAS RN: 59579-88-3
CAS Name: N,N-diethyl-2,2-dioxo-4,5,7,8-tetrahydro-3H-thiopyrano[3,4-e]oxathiin-4-amine
OPENEYE Name: N,N-diethyl-2,2-dioxo-4,5,7,8-tetrahydro-3H-thiopyrano[3,4-e]oxathiin-4-amine
IUPAC Name: N,N-diethyl-2,2-dioxo-4,5,7,8-tetrahydro-3H-thiopyrano[3,4-e]oxathiin-4-amine
SYSTEMATIC NAME: N,N-diethyl-2,2-bis(oxidanylidene)-4,5,7,8-tetrahydro-3H-thiopyrano[3,4-e][1,2]oxathiin-4-amine
MOLECULAR FORMULA: C11H19NO3S2
MOLECULAR WEIGHT: 277.40346
SMILES: CCN(CC)C1CS(=O)(=O)OC2=C1CSCC2
Structure:
CAS RN: 59579-86-1
CAS Name: 4-(1-piperidinyl)-4,5-dihydro-3H-thiochromeno[3,4-e]oxathiin 2,2-dioxide
OPENEYE Name: 4-(1-piperidyl)-4,5-dihydro-3H-thiochromeno[3,4-e]oxathiine 2,2-dioxide
IUPAC Name: 4-piperidin-1-yl-4,5-dihydro-3H-thiochromeno[3,4-e]oxathiine 2,2-dioxide
SYSTEMATIC NAME: 4-piperidin-1-yl-4,5-dihydro-3H-thiochromeno[3,4-e][1,2]oxathiine 2,2-dioxide
MOLECULAR FORMULA: C16H19NO3S2
MOLECULAR WEIGHT: 337.45696
SMILES: C1CCN(CC1)C2CS(=O)(=O)OC3=C2CSC4=CC=CC=C43
Structure:
CAS RN: 5222-13-9
CAS Name: 3-methyl-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
IUPAC Name: ethyl 3-methyl-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-2,4-bis(oxidanylidene)-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
MOLECULAR FORMULA: C10H11N3O4
MOLECULAR WEIGHT: 237.21204
SMILES: CCOC(=O)C1=CNC2=C1NC(=O)N(C2=O)C
Structure:
CAS RN: 59495-66-8
CAS Name: 3-methyl-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-methyl-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
IUPAC Name: ethyl 3-methyl-2,4-dioxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
SYSTEMATIC NAME: ethyl 3-methyl-2,4-bis(oxidanylidene)-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylate
MOLECULAR FORMULA: C10H11N3O4
MOLECULAR WEIGHT: 237.21204
SMILES: CCOC(=O)C1=CNC2=C1NC(=O)N(C2=O)C
Structure:
CAS RN: 54013-58-0
CAS Name: 8-(3,4-dichlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
OPENEYE Name: 8-(3,4-dichlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name: 8-(3,4-dichlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-(3,4-dichlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C13H10Cl2N4O2
MOLECULAR WEIGHT: 325.1501
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 29064-02-6
CAS Name: 8-(4-chlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
OPENEYE Name: 8-(4-chlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
IUPAC Name: 8-(4-chlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
SYSTEMATIC NAME: 8-(4-chlorophenyl)-1,3-dimethyl-7H-purine-2,6-dione
MOLECULAR FORMULA: C13H11ClN4O2
MOLECULAR WEIGHT: 290.70504
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 10354-32-2
CAS Name: 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C21H27NO6
MOLECULAR WEIGHT: 389.44218
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2)OC)OC)C(=O)OCC)C)C
Structure:
CAS RN: 74427-07-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H30N2O7
MOLECULAR WEIGHT: 470.5149
SMILES: CC(=O)OC1=C(C=CC2=C1C3=CC(=CC4=C3C(C2)N(CC4)C(=O)CN(CCO)CCO)O)OC
Structure:
CAS RN: 64345-81-9
CAS Name: 1-bromo-4-(4-nitrophenyl)isoquinoline
OPENEYE Name: 1-bromo-4-(4-nitrophenyl)isoquinoline
IUPAC Name: 1-bromo-4-(4-nitrophenyl)isoquinoline
SYSTEMATIC NAME: 1-bromanyl-4-(4-nitrophenyl)isoquinoline
MOLECULAR FORMULA: C15H9BrN2O2
MOLECULAR WEIGHT: 329.14816
SMILES: C1=CC=C2C(=C1)C(=CN=C2Br)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 59237-12-6
CAS Name: 5-ethyl-[1]benzothiolo[3,2-h]isoquinoline
OPENEYE Name: 5-ethylbenzothiopheno[3,2-h]isoquinoline
IUPAC Name: 5-ethyl-[1]benzothiolo[3,2-h]isoquinoline
SYSTEMATIC NAME: 5-ethyl-[1]benzothiolo[3,2-h]isoquinoline
MOLECULAR FORMULA: C17H13NS
MOLECULAR WEIGHT: 263.35682
SMILES: CCC1=C2C=CN=CC2=C3C(=C1)C4=CC=CC=C4S3
Structure:
CAS RN: 70539-70-7
CAS Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methylaniline
OPENEYE Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methyl-aniline
IUPAC Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]-4-methylaniline
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phosphoryl]-4-methyl-aniline
MOLECULAR FORMULA: C17H16Cl2F5N2O2P
MOLECULAR WEIGHT: 477.192917
SMILES: CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=C(C(=C(C(=C2F)F)F)F)F
Structure:
CAS RN: 55116-76-2
CAS Name: 4-[(4-chlorophenyl)sulfonylmethylsulfonyl]morpholine
OPENEYE Name: 4-[(4-chlorophenyl)sulfonylmethylsulfonyl]morpholine
IUPAC Name: 4-[(4-chlorophenyl)sulfonylmethylsulfonyl]morpholine
SYSTEMATIC NAME: 4-[(4-chlorophenyl)sulfonylmethylsulfonyl]morpholine
MOLECULAR FORMULA: C11H14ClNO5S2
MOLECULAR WEIGHT: 339.81556
SMILES: C1COCCN1S(=O)(=O)CS(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 55116-74-0
CAS Name: 1-(4-methoxyphenyl)sulfonyl-N,N-dimethylmethanesulfonamide
OPENEYE Name: 1-(4-methoxyphenyl)sulfonyl-N,N-dimethyl-methanesulfonamide
IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-N,N-dimethylmethanesulfonamide
SYSTEMATIC NAME: 1-(4-methoxyphenyl)sulfonyl-N,N-dimethyl-methanesulfonamide
MOLECULAR FORMULA: C10H15NO5S2
MOLECULAR WEIGHT: 293.3598
SMILES: CN(C)S(=O)(=O)CS(=O)(=O)C1=CC=C(C=C1)OC
Structure:
CAS RN: 55116-69-3
CAS Name: (4-methylphenyl)sulfonylmethanesulfonamide
OPENEYE Name: p-tolylsulfonylmethanesulfonamide
IUPAC Name: (4-methylphenyl)sulfonylmethanesulfonamide
SYSTEMATIC NAME: (4-methylphenyl)sulfonylmethanesulfonamide
MOLECULAR FORMULA: C8H11NO4S2
MOLECULAR WEIGHT: 249.30724
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CS(=O)(=O)N
Structure:
CAS RN: 32548-17-7
CAS Name: 3-methylsulfonyl-4-phenoxy-5-[(phenylmethyl)amino]benzoic acid
OPENEYE Name: 3-(benzylamino)-5-methylsulfonyl-4-phenoxy-benzoic acid
IUPAC Name: 3-(benzylamino)-5-methylsulfonyl-4-phenoxybenzoic acid
SYSTEMATIC NAME: 3-methylsulfonyl-4-phenoxy-5-[(phenylmethyl)amino]benzoic acid
MOLECULAR FORMULA: C21H19NO5S
MOLECULAR WEIGHT: 397.44426
SMILES: CS(=O)(=O)C1=CC(=CC(=C1OC2=CC=CC=C2)NCC3=CC=CC=C3)C(=O)O
Structure:
CAS RN: 59718-32-0
CAS Name: 7-methyl-5-(trifluoromethyl)-1,7-phenanthrolin-8-one
OPENEYE Name: 7-methyl-5-(trifluoromethyl)-1,7-phenanthrolin-8-one
IUPAC Name: 7-methyl-5-(trifluoromethyl)-1,7-phenanthrolin-8-one
SYSTEMATIC NAME: 7-methyl-5-(trifluoromethyl)-1,7-phenanthrolin-8-one
MOLECULAR FORMULA: C14H9F3N2O
MOLECULAR WEIGHT: 278.22927
SMILES: CN1C(=O)C=CC2=C1C=C(C3=C2N=CC=C3)C(F)(F)F
Structure:
CAS RN: 59718-31-9
CAS Name: 5-(trifluoromethyl)-1,7-phenanthroline
OPENEYE Name: 5-(trifluoromethyl)-1,7-phenanthroline
IUPAC Name: 5-(trifluoromethyl)-1,7-phenanthroline
SYSTEMATIC NAME: 5-(trifluoromethyl)-1,7-phenanthroline
MOLECULAR FORMULA: C13H7F3N2
MOLECULAR WEIGHT: 248.20329
SMILES: C1=CC2=C(C=C(C3=C2N=CC=C3)C(F)(F)F)N=C1
Structure:
CAS RN: 71848-08-3
CAS Name: N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (2-oxo-1H-pyridin-3-yl) N-(4-fluorophenyl)carbamate
IUPAC Name: (2-oxo-1H-pyridin-3-yl) N-(4-fluorophenyl)carbamate
SYSTEMATIC NAME: (2-oxidanylidene-1H-pyridin-3-yl) N-(4-fluorophenyl)carbamate
MOLECULAR FORMULA: C12H9FN2O3
MOLECULAR WEIGHT: 248.209863
SMILES: C1=CNC(=O)C(=C1)OC(=O)NC2=CC=C(C=C2)F
Structure:
CAS RN: 71847-90-0
CAS Name: acetic acid (6-oxo-1H-pyridin-3-yl) ester
OPENEYE Name: (6-oxo-1H-pyridin-3-yl) acetate
IUPAC Name: (6-oxo-1H-pyridin-3-yl) acetate
SYSTEMATIC NAME: (6-oxidanylidene-1H-pyridin-3-yl) ethanoate
MOLECULAR FORMULA: C7H7NO3
MOLECULAR WEIGHT: 153.13538
SMILES: CC(=O)OC1=CNC(=O)C=C1
Structure:
CAS RN: 87008-90-0
CAS Name: 3-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-hydroxy-4-pyridazinone
OPENEYE Name: 3-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-hydroxy-pyridazin-4-one
IUPAC Name: 3-chloro-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxypyridazin-4-one
SYSTEMATIC NAME: 3-chloranyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanyl-pyridazin-4-one
MOLECULAR FORMULA: C9H11ClN2O6
MOLECULAR WEIGHT: 278.64644
SMILES: C1=C(N(N=C(C1=O)Cl)C2C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 6779-71-1
CAS Name: [methyl(phenyl)phosphoryl]hydrazine
OPENEYE Name: [methyl(phenyl)phosphoryl]hydrazine
IUPAC Name: [methyl(phenyl)phosphoryl]hydrazine
SYSTEMATIC NAME: [methyl(phenyl)phosphoryl]diazane
MOLECULAR FORMULA: C7H11N2OP
MOLECULAR WEIGHT: 170.148801
SMILES: CP(=O)(C1=CC=CC=C1)NN
Structure:
CAS RN: 5222-04-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H15ClO5
MOLECULAR WEIGHT: 298.7189
SMILES: CC=C(C1=CC(=O)C23CC2C4(COC1(C3(O4)O)O)C)Cl
Structure:
CAS RN: 60958-71-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H15ClO5
MOLECULAR WEIGHT: 298.7189
SMILES: CC=C(C1=CC(=O)C23CC2C4(COC1(C3(O4)O)O)C)Cl
Structure:
CAS RN: 70539-69-4
CAS Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]aniline
OPENEYE Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]aniline
IUPAC Name: N-[bis(2-chloroethyl)amino-(2,3,4,5,6-pentafluorophenoxy)phosphoryl]aniline
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phosphoryl]aniline
MOLECULAR FORMULA: C16H14Cl2F5N2O2P
MOLECULAR WEIGHT: 463.166337
SMILES: C1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=C(C(=C(C(=C2F)F)F)F)F
Structure:
CAS RN: 51911-76-3
CAS Name: N,N-diethyl-6,8-dinitro-4-phenyl-2-naphthalenamine
OPENEYE Name: N,N-diethyl-6,8-dinitro-4-phenyl-naphthalen-2-amine
IUPAC Name: N,N-diethyl-6,8-dinitro-4-phenylnaphthalen-2-amine
SYSTEMATIC NAME: N,N-diethyl-6,8-dinitro-4-phenyl-naphthalen-2-amine
MOLECULAR FORMULA: C20H19N3O4
MOLECULAR WEIGHT: 365.38256
SMILES: CCN(CC)C1=CC(=C2C=C(C=C(C2=C1)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3
Structure:
CAS RN: 59909-63-6
CAS Name: 7a-methoxy-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a,4-dicarboxylic acid O3a-ethyl ester O4-methyl ester
OPENEYE Name: O3a-ethyl O4-methyl 7a-methoxy-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a,4-dicarboxylate
IUPAC Name: 3a-O-ethyl 4-O-methyl 7a-methoxy-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a,4-dicarboxylate
SYSTEMATIC NAME: O3a-ethyl O4-methyl 7a-methoxy-6-oxidanylidene-3,7-dihydro-2H-furo[2,3-b]pyridine-3a,4-dicarboxylate
MOLECULAR FORMULA: C13H17NO7
MOLECULAR WEIGHT: 299.27658
SMILES: CCOC(=O)C12CCOC1(NC(=O)C=C2C(=O)OC)OC
Structure:
CAS RN: 59909-62-5
CAS Name: 7a-methoxy-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-3a-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7a-methoxy-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-3a-carboxylate
IUPAC Name: ethyl 7a-methoxy-2,2-dimethyl-6-oxo-3,7-dihydrofuro[2,3-b]pyridine-3a-carboxylate
SYSTEMATIC NAME: ethyl 7a-methoxy-2,2-dimethyl-6-oxidanylidene-3,7-dihydrofuro[2,3-b]pyridine-3a-carboxylate
MOLECULAR FORMULA: C13H19NO5
MOLECULAR WEIGHT: 269.29366
SMILES: CCOC(=O)C12CC(OC1(NC(=O)C=C2)OC)(C)C
Structure:
CAS RN: 59909-69-2
CAS Name: 7a-ethoxy-2,3-dimethyl-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a,4-dicarboxylic acid O3a-ethyl ester O4-methyl ester
OPENEYE Name: O3a-ethyl O4-methyl 7a-ethoxy-2,3-dimethyl-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a,4-dicarboxylate
IUPAC Name: 3a-O-ethyl 4-O-methyl 7a-ethoxy-2,3-dimethyl-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a,4-dicarboxylate
SYSTEMATIC NAME: O3a-ethyl O4-methyl 7a-ethoxy-2,3-dimethyl-6-oxidanylidene-3,7-dihydro-2H-furo[2,3-b]pyridine-3a,4-dicarboxylate
MOLECULAR FORMULA: C16H23NO7
MOLECULAR WEIGHT: 341.35632
SMILES: CCOC(=O)C12C(C(OC1(NC(=O)C=C2C(=O)OC)OCC)C)C
Structure:
CAS RN: 59909-61-4
CAS Name: 7a-methoxy-2-methyl-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7a-methoxy-2-methyl-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a-carboxylate
IUPAC Name: ethyl 7a-methoxy-2-methyl-6-oxo-3,7-dihydro-2H-furo[2,3-b]pyridine-3a-carboxylate
SYSTEMATIC NAME: ethyl 7a-methoxy-2-methyl-6-oxidanylidene-3,7-dihydro-2H-furo[2,3-b]pyridine-3a-carboxylate
MOLECULAR FORMULA: C12H17NO5
MOLECULAR WEIGHT: 255.26708
SMILES: CCOC(=O)C12CC(OC1(NC(=O)C=C2)OC)C
Structure:
CAS RN: 62041-66-1
CAS Name: 3-ethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carbonitrile
OPENEYE Name: 3-ethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carbonitrile
IUPAC Name: 3-ethyl-2-hydroxy-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carbonitrile
SYSTEMATIC NAME: 3-ethyl-9,10-dimethoxy-2-oxidanyl-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine-2-carbonitrile
MOLECULAR FORMULA: C18H24N2O3
MOLECULAR WEIGHT: 316.39476
SMILES: CCC1CN2CCC3=CC(=C(C=C3C2CC1(C#N)O)OC)OC
Structure:
CAS RN: 59732-52-4
CAS Name: N,N-dimethyl-N'-phenylcarbamimidic acid [4-[2,5-bis[dimethylamino(phenylimino)methoxy]-3-pyrrolylidene]-5-[dimethylamino(phenylimino)methoxy]-2-pyrrolyl] ester
OPENEYE Name: 2-[3-[2,5-bis[(N,N-dimethyl-N'-phenyl-carbamimidoyl)oxy]pyrrol-3-ylidene]-5-(N,N-dimethyl-N'-phenyl-carbamimidoyl)oxy-pyrrol-2-yl]-1,1-dimethyl-3-phenyl-isourea
IUPAC Name: [4-[2,5-bis[(N,N-dimethyl-N'-phenylcarbamimidoyl)oxy]pyrrol-3-ylidene]-5-(N,N-dimethyl-N'-phenylcarbamimidoyl)oxypyrrol-2-yl] N,N-dimethyl-N'-phenylcarbamimidate
SYSTEMATIC NAME: [4-[2,5-bis[(N,N-dimethyl-N'-phenyl-carbamimidoyl)oxy]pyrrol-3-ylidene]-5-(N,N-dimethyl-N'-phenyl-carbamimidoyl)oxy-pyrrol-2-yl] N,N-dimethyl-N'-phenyl-carbamimidate
MOLECULAR FORMULA: C44H46N10O4
MOLECULAR WEIGHT: 778.90064
SMILES: CN(C)C(=NC1=CC=CC=C1)OC2=CC(=C3C=C(N=C3OC(=NC4=CC=CC=C4)N(C)C)OC(=NC5=CC=CC=C5)N(C)C)C(=N2)OC(=NC6=CC=CC=C6)N(C)C
Structure:
CAS RN: 23451-96-9
CAS Name: 2-amino-5-methylbenzenethiol
OPENEYE Name: 2-amino-5-methyl-benzenethiol
IUPAC Name: 2-amino-5-methylbenzenethiol
SYSTEMATIC NAME: 2-azanyl-5-methyl-benzenethiol
MOLECULAR FORMULA: C7H9NS
MOLECULAR WEIGHT: 139.21806
SMILES: CC1=CC(=C(C=C1)N)S
Structure:
CAS RN: 53823-11-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H10N6
MOLECULAR WEIGHT: 214.2266
SMILES: CC1=C2C(=NC(=N2)N)C=CC3=C1N=C(N3)N
Structure:
CAS RN: 60332-15-2
CAS Name: 4-hydroxy-3,10,11-trimethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
OPENEYE Name: 4-hydroxy-3,10,11-trimethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
IUPAC Name: 4-hydroxy-3,10,11-trimethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
SYSTEMATIC NAME: 3,10,11-trimethoxy-6-methyl-4-oxidanyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)O)OC)OC
Structure:
CAS RN: 64215-93-6
CAS Name: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
OPENEYE Name: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
IUPAC Name: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
SYSTEMATIC NAME: 1-[[4-[5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
MOLECULAR FORMULA: C39H46N2O7
MOLECULAR WEIGHT: 654.79174
SMILES: CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)CC5C6=CC(=C(C(=C6CCN5C)O)OC)OC)OC)OC
Structure:
CAS RN: 65582-53-8
CAS Name: 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoic acid (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl ester
OPENEYE Name: (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methyl-butanoate
IUPAC Name: (7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2,3-dihydroxy-2-(1-methoxyethyl)-3-methylbutanoate
SYSTEMATIC NAME: (4-oxidanidyl-7-oxidanyl-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-(1-methoxyethyl)-3-methyl-2,3-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C16H27NO7
MOLECULAR WEIGHT: 345.38808
SMILES: CC(C(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])(C(C)(C)O)O)OC
Structure:
CAS RN: 16994-31-3
CAS Name: 7-methoxy-1H-2-benzothiopyran-4-one
OPENEYE Name: 7-methoxyisothiochroman-4-one
IUPAC Name: 7-methoxy-1H-isothiochromen-4-one
SYSTEMATIC NAME: 7-methoxy-1H-isothiochromen-4-one
MOLECULAR FORMULA: C10H10O2S
MOLECULAR WEIGHT: 194.2502
SMILES: COC1=CC2=C(C=C1)C(=O)CSC2
Structure:
CAS RN: 58137-30-7
CAS Name: 5,5-dimethyl-2-phenacyl-3-(pyridin-4-ylhydrazo)-1-cyclohex-2-enone
OPENEYE Name: 5,5-dimethyl-2-phenacyl-3-[2-(4-pyridyl)hydrazino]cyclohex-2-en-1-one
IUPAC Name: 5,5-dimethyl-2-phenacyl-3-(2-pyridin-4-ylhydrazinyl)cyclohex-2-en-1-one
SYSTEMATIC NAME: 5,5-dimethyl-2-phenacyl-3-(2-pyridin-4-ylhydrazinyl)cyclohex-2-en-1-one
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: CC1(CC(=C(C(=O)C1)CC(=O)C2=CC=CC=C2)NNC3=CC=NC=C3)C
Structure:
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