CAS RN: 84518-22-9
CAS Name: N-(1,3-dichloropropan-2-yl)benzenesulfonamide
OPENEYE Name: N-[2-chloro-1-(chloromethyl)ethyl]benzenesulfonamide
IUPAC Name: N-(1,3-dichloropropan-2-yl)benzenesulfonamide
SYSTEMATIC NAME: N-[1,3-bis(chloranyl)propan-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C9H11Cl2NO2S
MOLECULAR WEIGHT: 268.16014
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC(CCl)CCl
Structure:
CAS RN: 55-59-4
CAS Name: 2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
OPENEYE Name: 2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
IUPAC Name: 2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(3,4-dimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: COC1=C(C=C(C=C1)CC(C(=O)O)N)OC
Structure:
CAS RN: 32161-30-1
CAS Name: 2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
OPENEYE Name: 2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
IUPAC Name: 2-amino-3-(3,4-dimethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(3,4-dimethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H15NO4
MOLECULAR WEIGHT: 225.2411
SMILES: COC1=C(C=C(C=C1)CC(C(=O)O)N)OC
Structure:
CAS RN: 22047-86-5
CAS Name: 1'-acetyl-2'-spiro[1,3-dihydrobenzo[f]benzimidazole-2,3'-indole]one
OPENEYE Name: 1'-acetylspiro[1,3-dihydrobenzo[f]benzimidazole-2,3'-indoline]-2'-one
IUPAC Name: 1'-acetylspiro[1,3-dihydrobenzo[f]benzimidazole-2,3'-indole]-2'-one
SYSTEMATIC NAME: 1'-ethanoylspiro[1,3-dihydrobenzo[f]benzimidazole-2,3'-indole]-2'-one
MOLECULAR FORMULA: C20H15N3O2
MOLECULAR WEIGHT: 329.352
SMILES: CC(=O)N1C2=CC=CC=C2C3(C1=O)NC4=CC5=CC=CC=C5C=C4N3
Structure:
CAS RN: 20872-77-9
CAS Name: 2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile
OPENEYE Name: 2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile
IUPAC Name: 2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile
SYSTEMATIC NAME: 2-bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile
MOLECULAR FORMULA: C24H21N2O3P
MOLECULAR WEIGHT: 416.408901
SMILES: CC1=CC=C(C=C1)OP(=O)(N2C=CC3=CC=CC=C3C2C#N)OC4=CC=C(C=C4)C
Structure:
CAS RN: 32337-48-7
CAS Name: 1-[3-(2,4-dinitrophenoxy)phenyl]ethanone
OPENEYE Name: 1-[3-(2,4-dinitrophenoxy)phenyl]ethanone
IUPAC Name: 1-[3-(2,4-dinitrophenoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[3-(2,4-dinitrophenoxy)phenyl]ethanone
MOLECULAR FORMULA: C14H10N2O6
MOLECULAR WEIGHT: 302.239
SMILES: CC(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 23772-64-7
CAS Name: 1-(3-chlorophenoxy)-2,4-dinitrobenzene
OPENEYE Name: 1-(3-chlorophenoxy)-2,4-dinitro-benzene
IUPAC Name: 1-(3-chlorophenoxy)-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-(3-chloranylphenoxy)-2,4-dinitro-benzene
MOLECULAR FORMULA: C12H7ClN2O5
MOLECULAR WEIGHT: 294.64738
SMILES: C1=CC(=CC(=C1)Cl)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 6184-16-3
CAS Name: 1,2,3,5-tetrachloro-4-(2,4-dinitrophenoxy)benzene
OPENEYE Name: 1,2,3,5-tetrachloro-4-(2,4-dinitrophenoxy)benzene
IUPAC Name: 1,2,3,5-tetrachloro-4-(2,4-dinitrophenoxy)benzene
SYSTEMATIC NAME: 1,2,3,5-tetrakis(chloranyl)-4-(2,4-dinitrophenoxy)benzene
MOLECULAR FORMULA: C12H4Cl4N2O5
MOLECULAR WEIGHT: 397.98256
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
Structure:
CAS RN: 128-62-1
CAS Name: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
OPENEYE Name: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one
IUPAC Name: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C22H23NO7
MOLECULAR WEIGHT: 413.42052
SMILES: CN1CCC2=CC3=C(C(=C2[C@@H]1[C@@H]4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
Structure:
CAS RN: 468-25-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28N2O5
MOLECULAR WEIGHT: 412.47882
SMILES: COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C4N2)C(OCC=C6C5)CC(=O)O)OC
Structure:
CAS RN: 509-52-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: C1CN2CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)CC(=O)O
Structure:
CAS RN: 478-61-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H40N2O6
MOLECULAR WEIGHT: 608.7233
SMILES: CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
Structure:
CAS RN: 28293-15-4
CAS Name: 2,5-dihydroxy-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dihydroxy-3,6-bis(p-tolyl)-1,4-benzoquinone
IUPAC Name: 2,5-dihydroxy-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(4-methylphenyl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C20H16O4
MOLECULAR WEIGHT: 320.33864
SMILES: CC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)C)O
Structure:
CAS RN: 28293-34-7
CAS Name: 2,5-dichloro-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dichloro-3,6-bis(p-tolyl)-1,4-benzoquinone
IUPAC Name: 2,5-dichloro-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(chloranyl)-3,6-bis(4-methylphenyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C20H14Cl2O2
MOLECULAR WEIGHT: 357.22996
SMILES: CC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)Cl)C3=CC=C(C=C3)C)Cl
Structure:
CAS RN: 292615-41-9
CAS Name: 2-[(2,5-dimethylphenyl)methyl]-1,4-dimethylbenzene
OPENEYE Name: 2-[(2,5-dimethylphenyl)methyl]-1,4-dimethyl-benzene
IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-1,4-dimethylbenzene
SYSTEMATIC NAME: 2-[(2,5-dimethylphenyl)methyl]-1,4-dimethyl-benzene
MOLECULAR FORMULA: C17H20
MOLECULAR WEIGHT: 224.3407
SMILES: CC1=CC(=C(C=C1)C)CC2=C(C=CC(=C2)C)C
Structure:
CAS RN: 105532-75-0
CAS Name: 1,4-dichloro-2-[(2,5-dichlorophenyl)methyl]benzene
OPENEYE Name: 1,4-dichloro-2-[(2,5-dichlorophenyl)methyl]benzene
IUPAC Name: 1,4-dichloro-2-[(2,5-dichlorophenyl)methyl]benzene
SYSTEMATIC NAME: 2-[[2,5-bis(chloranyl)phenyl]methyl]-1,4-bis(chloranyl)benzene
MOLECULAR FORMULA: C13H8Cl4
MOLECULAR WEIGHT: 306.01462
SMILES: C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)Cl)Cl
Structure:
CAS RN: 474-50-0
CAS Name: 2-(3-chloro-1,4-dioxo-2-naphthalenyl)-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 2-(3-chloro-1,4-dioxo-2-naphthyl)-3-oxo-butanoate
IUPAC Name: ethyl 2-(3-chloro-1,4-dioxonaphthalen-2-yl)-3-oxobutanoate
SYSTEMATIC NAME: ethyl 2-[3-chloranyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C16H13ClO5
MOLECULAR WEIGHT: 320.72442
SMILES: CCOC(=O)C(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)C
Structure:
CAS RN: 92167-94-7
CAS Name: butanoic acid (1,4-dioxo-2-naphthalenyl) ester
OPENEYE Name: (1,4-dioxo-2-naphthyl) butanoate
IUPAC Name: (1,4-dioxonaphthalen-2-yl) butanoate
SYSTEMATIC NAME: [1,4-bis(oxidanylidene)naphthalen-2-yl] butanoate
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: CCCC(=O)OC1=CC(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 55500-12-4
CAS Name: 2-(2-benzamido-1-oxoethoxy)-2-phenylacetic acid
OPENEYE Name: 2-(2-benzamidoacetyl)oxy-2-phenyl-acetic acid
IUPAC Name: 2-(2-benzamidoacetyl)oxy-2-phenylacetic acid
SYSTEMATIC NAME: 2-(2-benzamidoethanoyloxy)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C17H15NO5
MOLECULAR WEIGHT: 313.3047
SMILES: C1=CC=C(C=C1)C(C(=O)O)OC(=O)CNC(=O)C2=CC=CC=C2
Structure:
CAS RN: 21108-93-0
CAS Name: 1H-imidazole; 1-imidazolesulfonic acid
OPENEYE Name: imidazole; imidazole-1-sulfonic acid
IUPAC Name: 1H-imidazole; imidazole-1-sulfonic acid
SYSTEMATIC NAME: 1H-imidazole; imidazole-1-sulfonic acid
MOLECULAR FORMULA: C6H8N4O3S
MOLECULAR WEIGHT: 216.21772
SMILES: C1=CN=CN1.C1=CN(C=N1)S(=O)(=O)O
Structure:
CAS RN: 19694-88-3
CAS Name: 3,4,5-trihydroxy-2-oxopentanal
OPENEYE Name: 3,4,5-trihydroxy-2-oxo-pentanal
IUPAC Name: 3,4,5-trihydroxy-2-oxopentanal
SYSTEMATIC NAME: 3,4,5-tris(oxidanyl)-2-oxidanylidene-pentanal
MOLECULAR FORMULA: C5H8O5
MOLECULAR WEIGHT: 148.11402
SMILES: C(C(C(C(=O)C=O)O)O)O
Structure:
CAS RN: 3969-84-4
CAS Name: 1-[5-(1,2-dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
OPENEYE Name: 1-[5-(1,2-dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
IUPAC Name: 1-[5-(1,2-dihydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SYSTEMATIC NAME: 1-[5-[1,2-bis(oxidanyl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
MOLECULAR FORMULA: C9H18O6
MOLECULAR WEIGHT: 222.23562
SMILES: CC1(OC(C(O1)C(CO)O)C(CO)O)C
Structure:
CAS RN: 36002-22-9
CAS Name: 1,6-difluorohexane-2,3,4,5-tetrol
OPENEYE Name: 1,6-difluorohexane-2,3,4,5-tetrol
IUPAC Name: 1,6-difluorohexane-2,3,4,5-tetrol
SYSTEMATIC NAME: 1,6-bis(fluoranyl)hexane-2,3,4,5-tetrol
MOLECULAR FORMULA: C6H12F2O4
MOLECULAR WEIGHT: 186.153886
SMILES: C(C(C(C(C(CF)O)O)O)O)F
Structure:
CAS RN: 4746-80-9
CAS Name: 1,2-bis(4-phenylphenyl)ethane-1,2-dione
OPENEYE Name: 1,2-bis(4-phenylphenyl)ethane-1,2-dione
IUPAC Name: 1,2-bis(4-phenylphenyl)ethane-1,2-dione
SYSTEMATIC NAME: 1,2-bis(4-phenylphenyl)ethane-1,2-dione
MOLECULAR FORMULA: C26H18O2
MOLECULAR WEIGHT: 362.41992
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4
Structure:
CAS RN: 51197-08-1
CAS Name: 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
OPENEYE Name: 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
IUPAC Name: 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
SYSTEMATIC NAME: 1,2,3,4,5-pentamethyl-6-[(2,3,4,5,6-pentamethylphenyl)methyl]benzene
MOLECULAR FORMULA: C23H32
MOLECULAR WEIGHT: 308.50018
SMILES: CC1=C(C(=C(C(=C1C)C)CC2=C(C(=C(C(=C2C)C)C)C)C)C)C
Structure:
CAS RN: 349099-88-3
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylethanethioic acid S-(1-methyl-4-piperidinyl) ester
OPENEYE Name: S-(1-methyl-4-piperidyl) 2-cyclohexyl-2-hydroxy-2-phenyl-ethanethioate
IUPAC Name: S-(1-methylpiperidin-4-yl) 2-cyclohexyl-2-hydroxy-2-phenylethanethioate
SYSTEMATIC NAME: S-(1-methylpiperidin-4-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanethioate
MOLECULAR FORMULA: C20H29NO2S
MOLECULAR WEIGHT: 347.51476
SMILES: CN1CCC(CC1)SC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O
Structure:
CAS RN: 7333-07-5
CAS Name: 1,2-dithiophen-2-ylethane-1,2-dione
OPENEYE Name: 1,2-bis(2-thienyl)ethane-1,2-dione
IUPAC Name: 1,2-dithiophen-2-ylethane-1,2-dione
SYSTEMATIC NAME: 1,2-dithiophen-2-ylethane-1,2-dione
MOLECULAR FORMULA: C10H6O2S2
MOLECULAR WEIGHT: 222.28344
SMILES: C1=CSC(=C1)C(=O)C(=O)C2=CC=CS2
Structure:
CAS RN: 53172-03-5
CAS Name: 2-(4-methyl-N-nitrosoanilino)acetic acid
OPENEYE Name: 2-(4-methyl-N-nitroso-anilino)acetic acid
IUPAC Name: 2-(4-methyl-N-nitrosoanilino)acetic acid
SYSTEMATIC NAME: 2-[(4-methylphenyl)-nitroso-amino]ethanoic acid
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CC1=CC=C(C=C1)N(CC(=O)O)N=O
Structure:
CAS RN: 52827-01-7
CAS Name: 2-(4-methoxy-N-nitrosoanilino)acetic acid
OPENEYE Name: 2-(4-methoxy-N-nitroso-anilino)acetic acid
IUPAC Name: 2-(4-methoxy-N-nitrosoanilino)acetic acid
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)-nitroso-amino]ethanoic acid
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: COC1=CC=C(C=C1)N(CC(=O)O)N=O
Structure:
CAS RN: 53171-44-1
CAS Name: 2-(4-methoxy-N-nitrosoanilino)acetic acid
OPENEYE Name: 2-(4-methoxy-N-nitroso-anilino)acetic acid
IUPAC Name: 2-(4-methoxy-N-nitrosoanilino)acetic acid
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)-nitroso-amino]ethanoic acid
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: COC1=CC=C(C=C1)N(CC(=O)O)N=O
Structure:
CAS RN: 92368-74-6
CAS Name: (1-fluoro-2,3-dimethylcyclopropyl)benzene
OPENEYE Name: (1-fluoro-2,3-dimethyl-cyclopropyl)benzene
IUPAC Name: (1-fluoro-2,3-dimethylcyclopropyl)benzene
SYSTEMATIC NAME: (1-fluoranyl-2,3-dimethyl-cyclopropyl)benzene
MOLECULAR FORMULA: C11H13F
MOLECULAR WEIGHT: 164.219323
SMILES: CC1C(C1(C2=CC=CC=C2)F)C
Structure:
CAS RN: 1633-78-9
CAS Name: N-(6-oxo-5H-phenanthridin-1-yl)acetamide
OPENEYE Name: N-(6-oxo-5H-phenanthridin-1-yl)acetamide
IUPAC Name: N-(6-oxo-5H-phenanthridin-1-yl)acetamide
SYSTEMATIC NAME: N-(6-oxidanylidene-5H-phenanthridin-1-yl)ethanamide
MOLECULAR FORMULA: C15H12N2O2
MOLECULAR WEIGHT: 252.26798
SMILES: CC(=O)NC1=CC=CC2=C1C3=CC=CC=C3C(=O)N2
Structure:
CAS RN: 33600-93-0
CAS Name: (4-phenylmethoxyphenyl)-(2-pyridinyl)methanol
OPENEYE Name: (4-benzyloxyphenyl)-(2-pyridyl)methanol
IUPAC Name: (4-phenylmethoxyphenyl)-pyridin-2-ylmethanol
SYSTEMATIC NAME: (4-phenylmethoxyphenyl)-pyridin-2-yl-methanol
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=CC=CC=N3)O
Structure:
CAS RN: 3971-28-6
CAS Name: 1-(2-chloroethyl)-3-(1,1-dioxo-3-thiolanyl)-1-nitrosourea; 3-(2-chloroethyl)-1-(1,1-dioxo-3-thiolanyl)-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-(1,1-dioxothiolan-3-yl)-1-nitroso-urea; 3-(2-chloroethyl)-1-(1,1-dioxothiolan-3-yl)-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-(1,1-dioxothiolan-3-yl)-1-nitrosourea; 3-(2-chloroethyl)-1-(1,1-dioxothiolan-3-yl)-1-nitrosourea
SYSTEMATIC NAME: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-(2-chloroethyl)-1-nitroso-urea; 3-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-(2-chloroethyl)-1-nitroso-urea
MOLECULAR FORMULA: C14H24Cl2N6O8S2
MOLECULAR WEIGHT: 539.41176
SMILES: C1CS(=O)(=O)CC1NC(=O)N(CCCl)N=O.C1CS(=O)(=O)CC1N(C(=O)NCCCl)N=O
Structure:
CAS RN: 33185-97-6
CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(2-fluoroethyl)urea
OPENEYE Name: 1-(2-fluoroethyl)-3-thiochroman-4-yl-urea
IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-fluoroethyl)urea
SYSTEMATIC NAME: 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-fluoranylethyl)urea
MOLECULAR FORMULA: C12H15FN2OS
MOLECULAR WEIGHT: 254.323703
SMILES: C1CSC2=CC=CC=C2C1NC(=O)NCCF
Structure:
CAS RN: 33211-58-4
CAS Name: 1-(1,1-dioxo-3-thiolanyl)-3-methylurea
OPENEYE Name: 1-(1,1-dioxothiolan-3-yl)-3-methyl-urea
IUPAC Name: 1-(1,1-dioxothiolan-3-yl)-3-methylurea
SYSTEMATIC NAME: 1-[1,1-bis(oxidanylidene)thiolan-3-yl]-3-methyl-urea
MOLECULAR FORMULA: C6H12N2O3S
MOLECULAR WEIGHT: 192.23608
SMILES: CNC(=O)NC1CCS(=O)(=O)C1
Structure:
CAS RN: 80057-45-0
CAS Name: 1-(5-hydroxypentyl)-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-(5-hydroxypentyl)-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-(5-hydroxypentyl)-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-methyl-1-(5-oxidanylpentyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H16N2O3
MOLECULAR WEIGHT: 212.24564
SMILES: CC1=CN(C(=O)NC1=O)CCCCCO
Structure:
CAS RN: 73473-54-8
CAS Name: 2-(9-phenanthrenylmethylidene)propanedinitrile
OPENEYE Name: 2-(9-phenanthrylmethylene)propanedinitrile
IUPAC Name: 2-(phenanthren-9-ylmethylidene)propanedinitrile
SYSTEMATIC NAME: 2-(phenanthren-9-ylmethylidene)propanedinitrile
MOLECULAR FORMULA: C18H10N2
MOLECULAR WEIGHT: 254.2854
SMILES: C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C=C(C#N)C#N
Structure:
CAS RN: 31568-91-9
CAS Name: 2-chloro-8-quinolinol
OPENEYE Name: 2-chloroquinolin-8-ol
IUPAC Name: 2-chloroquinolin-8-ol
SYSTEMATIC NAME: 2-chloranylquinolin-8-ol
MOLECULAR FORMULA: C9H6ClNO
MOLECULAR WEIGHT: 179.60304
SMILES: C1=CC2=C(C(=C1)O)N=C(C=C2)Cl
Structure:
CAS RN: 38915-06-9
CAS Name: 1-(9-ethyl-2-carbazolyl)ethanone
OPENEYE Name: 1-(9-ethylcarbazol-2-yl)ethanone
IUPAC Name: 1-(9-ethylcarbazol-2-yl)ethanone
SYSTEMATIC NAME: 1-(9-ethylcarbazol-2-yl)ethanone
MOLECULAR FORMULA: C16H15NO
MOLECULAR WEIGHT: 237.2964
SMILES: CCN1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C
Structure:
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