CAS RN: 6957-86-4
CAS Name: 2-amino-6-methyl-5-prop-2-enyl-1H-pyrimidin-4-one
OPENEYE Name: 5-allyl-2-amino-6-methyl-1H-pyrimidin-4-one
IUPAC Name: 2-amino-6-methyl-5-prop-2-enyl-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-6-methyl-5-prop-2-enyl-1H-pyrimidin-4-one
MOLECULAR FORMULA: C8H11N3O
MOLECULAR WEIGHT: 165.19244
SMILES: CC1=C(C(=O)N=C(N1)N)CC=C
Structure:
CAS RN: 874-46-4
CAS Name: N1,N4-bis(2-methylphenyl)benzene-1,4-dicarboxamide
OPENEYE Name: N1,N4-bis(o-tolyl)terephthalamide
IUPAC Name: 1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide
SYSTEMATIC NAME: N1,N4-bis(2-methylphenyl)benzene-1,4-dicarboxamide
MOLECULAR FORMULA: C22H20N2O2
MOLECULAR WEIGHT: 344.4064
SMILES: CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C
Structure:
CAS RN: 87259-04-9
CAS Name: 2-(2-chlorophenoxy)acetic acid methyl ester
OPENEYE Name: methyl 2-(2-chlorophenoxy)acetate
IUPAC Name: methyl 2-(2-chlorophenoxy)acetate
SYSTEMATIC NAME: methyl 2-(2-chloranylphenoxy)ethanoate
MOLECULAR FORMULA: C9H9ClO3
MOLECULAR WEIGHT: 200.61896
SMILES: COC(=O)COC1=CC=CC=C1Cl
Structure:
CAS RN: 6476-39-7
CAS Name: 2-(2-chloro-4-methylphenoxy)acetic acid
OPENEYE Name: 2-(2-chloro-4-methyl-phenoxy)acetic acid
IUPAC Name: 2-(2-chloro-4-methylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-chloranyl-4-methyl-phenoxy)ethanoic acid
MOLECULAR FORMULA: C9H9ClO3
MOLECULAR WEIGHT: 200.61896
SMILES: CC1=CC(=C(C=C1)OCC(=O)O)Cl
Structure:
CAS RN: 90649-82-4
CAS Name: 2-[(4-chlorophenyl)methylthio]acetic acid
OPENEYE Name: 2-[(4-chlorophenyl)methylsulfanyl]acetic acid
IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C9H9ClO2S
MOLECULAR WEIGHT: 216.68456
SMILES: C1=CC(=CC=C1CSCC(=O)O)Cl
Structure:
CAS RN: 491-45-2
CAS Name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol
OPENEYE Name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol
IUPAC Name: 2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol
SYSTEMATIC NAME: 2-[3,5-bis(oxidanyl)phenyl]benzene-1,3,5-triol
MOLECULAR FORMULA: C12H10O5
MOLECULAR WEIGHT: 234.2048
SMILES: C1=C(C=C(C=C1O)O)C2=C(C=C(C=C2O)O)O
Structure:
CAS RN: 87205-47-8
CAS Name: 4-(butylthio)quinazoline
OPENEYE Name: 4-butylsulfanylquinazoline
IUPAC Name: 4-butylsulfanylquinazoline
SYSTEMATIC NAME: 4-butylsulfanylquinazoline
MOLECULAR FORMULA: C12H14N2S
MOLECULAR WEIGHT: 218.31796
SMILES: CCCCSC1=NC=NC2=CC=CC=C21
Structure:
CAS RN: 871-58-9
CAS Name: 1,1-dimethoxy-2-octanone
OPENEYE Name: 1,1-dimethoxyoctan-2-one
IUPAC Name: 1,1-dimethoxyoctan-2-one
SYSTEMATIC NAME: 1,1-dimethoxyoctan-2-one
MOLECULAR FORMULA: C10H20O3
MOLECULAR WEIGHT: 188.264
SMILES: CCCCCCC(=O)C(OC)OC
Structure:
CAS RN: 87148-06-9
CAS Name: 1,1-dimethoxy-2-pentanone
OPENEYE Name: 1,1-dimethoxypentan-2-one
IUPAC Name: 1,1-dimethoxypentan-2-one
SYSTEMATIC NAME: 1,1-dimethoxypentan-2-one
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCCC(=O)C(OC)OC
Structure:
CAS RN: 87117-46-2
CAS Name: 1,1-dimethoxy-4-phenyl-2-butanone
OPENEYE Name: 1,1-dimethoxy-4-phenyl-butan-2-one
IUPAC Name: 1,1-dimethoxy-4-phenylbutan-2-one
SYSTEMATIC NAME: 1,1-dimethoxy-4-phenyl-butan-2-one
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: COC(C(=O)CCC1=CC=CC=C1)OC
Structure:
CAS RN: 1048-86-8
CAS Name: 17-acetyl-11-hydroxy-10,12,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 17-acetyl-11-hydroxy-10,12,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 17-acetyl-11-hydroxy-10,12,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 17-ethanoyl-10,12,13-trimethyl-11-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C22H32O3
MOLECULAR WEIGHT: 344.48768
SMILES: CC1C(C2C(CCC3=CC(=O)CCC23C)C4C1(C(CC4)C(=O)C)C)O
Structure:
CAS RN: 7143-46-6
CAS Name: 2-(2,3,4-trimethoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 2-(2,3,4-trimethoxyphenyl)chromen-4-one
IUPAC Name: 2-(2,3,4-trimethoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 2-(2,3,4-trimethoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: COC1=C(C(=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC)OC
Structure:
CAS RN: 6928-56-9
CAS Name: 3-amino-2-phenyl-1-benzopyran-4-one
OPENEYE Name: 3-amino-2-phenyl-chromen-4-one
IUPAC Name: 3-amino-2-phenylchromen-4-one
SYSTEMATIC NAME: 3-azanyl-2-phenyl-chromen-4-one
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)N
Structure:
CAS RN: 91566-67-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H31NO3
MOLECULAR WEIGHT: 417.53994
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=C(C6=CC=CC=C6N=C54)C(=O)O)C)O
Structure:
CAS RN: 6697-23-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H33NO
MOLECULAR WEIGHT: 375.54632
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=CC6=CC=CC=C6N=C54)C)O
Structure:
CAS RN: 6218-13-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H33NO
MOLECULAR WEIGHT: 375.54632
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC5=CC6=CC=CC=C6N=C54)C)O
Structure:
CAS RN: 26426-73-3
CAS Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,8S,9S,10R,13S,14S,17S)-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C23H36O3
MOLECULAR WEIGHT: 360.53014
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OCOC)C)C
Structure:
CAS RN: 974-76-5
CAS Name: (8R,9S,13S,14S,17S)-17-(2-chloroethynyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
OPENEYE Name: (8R,9S,13S,14S,17S)-17-(2-chloroethynyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
IUPAC Name: (8R,9S,13S,14S,17S)-17-(2-chloroethynyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,13S,14S,17S)-17-(2-chloranylethynyl)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C21H25ClO2
MOLECULAR WEIGHT: 344.875
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CCl)O)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 303-42-4
CAS Name: heptanoic acid [(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
IUPAC Name: [(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
SYSTEMATIC NAME: [(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxidanylidene-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
MOLECULAR FORMULA: C27H42O3
MOLECULAR WEIGHT: 414.62058
SMILES: CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C(=CC(=O)C4)C)C)C
Structure:
CAS RN: 4332-73-4
CAS Name: 5,6,7-trimethoxy-3-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,6,7-trimethoxy-3-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5,6,7-trimethoxy-3-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 5,6,7-trimethoxy-3-(4-methoxyphenyl)chromen-4-one
MOLECULAR FORMULA: C19H18O6
MOLECULAR WEIGHT: 342.34262
SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=C(C(=C3C2=O)OC)OC)OC
Structure:
CAS RN: 96-06-0
CAS Name: (8R,9S,10R,13S,14S,16R)-16-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
OPENEYE Name: (8R,9S,10R,13S,14S,16R)-16-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC Name: (8R,9S,10R,13S,14S,16R)-16-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,16R)-16-methoxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H](C4=O)OC)C
Structure:
CAS RN: 86674-66-0
CAS Name: acetic acid [(3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-16-(2,4-dioxopentan-3-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-16-(1-acetyl-2-oxo-propyl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,5S,8R,9S,10S,13S,14S,16R,17S)-17-acetyl-16-(2,4-dioxopentan-3-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,5S,8R,9S,10S,13S,14S,16R,17S)-16-[2,4-bis(oxidanylidene)pentan-3-yl]-17-ethanoyl-10,13-dimethyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C28H40O6
MOLECULAR WEIGHT: 472.6136
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C(=O)C[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(C(=O)C)C(=O)C
Structure:
CAS RN: 2859-51-0
CAS Name: 4-[2-(3,4-diethoxyphenyl)ethenyl]quinoline
OPENEYE Name: 4-[2-(3,4-diethoxyphenyl)vinyl]quinoline
IUPAC Name: 4-[2-(3,4-diethoxyphenyl)ethenyl]quinoline
SYSTEMATIC NAME: 4-[2-(3,4-diethoxyphenyl)ethenyl]quinoline
MOLECULAR FORMULA: C21H21NO2
MOLECULAR WEIGHT: 319.39694
SMILES: CCOC1=C(C=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)OCC
Structure:
CAS RN: 1586-53-4
CAS Name: 4-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]quinoline
OPENEYE Name: 4-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)vinyl]quinoline
IUPAC Name: 4-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]quinoline
SYSTEMATIC NAME: 4-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethenyl]quinoline
MOLECULAR FORMULA: C21H20N2
MOLECULAR WEIGHT: 300.3969
SMILES: CN1CCCC2=C1C=CC(=C2)C=CC3=CC=NC4=CC=CC=C34
Structure:
CAS RN: 2878-63-9
CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethenyl]quinoline
OPENEYE Name: 4-[2-(3,4-dimethoxyphenyl)vinyl]quinoline
IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethenyl]quinoline
SYSTEMATIC NAME: 4-[2-(3,4-dimethoxyphenyl)ethenyl]quinoline
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: COC1=C(C=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)OC
Structure:
CAS RN: 3253-51-8
CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
OPENEYE Name: 4-[2-(1,3-benzodioxol-5-yl)vinyl]quinoline
IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
SYSTEMATIC NAME: 4-[2-(1,3-benzodioxol-5-yl)ethenyl]quinoline
MOLECULAR FORMULA: C18H13NO2
MOLECULAR WEIGHT: 275.30132
SMILES: C1OC2=C(O1)C=C(C=C2)C=CC3=CC=NC4=CC=CC=C34
Structure:
CAS RN: 1586-52-3
CAS Name: 4-(2-thiophen-2-ylethenyl)quinoline
OPENEYE Name: 4-[2-(2-thienyl)vinyl]quinoline
IUPAC Name: 4-(2-thiophen-2-ylethenyl)quinoline
SYSTEMATIC NAME: 4-(2-thiophen-2-ylethenyl)quinoline
MOLECULAR FORMULA: C15H11NS
MOLECULAR WEIGHT: 237.31954
SMILES: C1=CC=C2C(=C1)C(=CC=N2)C=CC3=CC=CS3
Structure:
CAS RN: 26430-97-7
CAS Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(triphenylmethyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
OPENEYE Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trityloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
IUPAC Name: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-trityloxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
SYSTEMATIC NAME: 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-(triphenylmethyl)oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
MOLECULAR FORMULA: C40H48O2
MOLECULAR WEIGHT: 560.80792
SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C)C
Structure:
CAS RN: 6958-81-2
CAS Name: 2-benzoyloxy-4-(2-oxo-1,3,2,6-dioxathiazocan-6-yl)benzoic acid methyl ester
OPENEYE Name: methyl 2-benzoyloxy-4-(2-oxo-1,3,2,6-dioxathiazocan-6-yl)benzoate
IUPAC Name: methyl 2-benzoyloxy-4-(2-oxo-1,3,2,6-dioxathiazocan-6-yl)benzoate
SYSTEMATIC NAME: methyl 4-(2-oxidanylidene-1,3,2,6-dioxathiazocan-6-yl)-2-(phenylcarbonyloxy)benzoate
MOLECULAR FORMULA: C19H19NO7S
MOLECULAR WEIGHT: 405.42166
SMILES: COC(=O)C1=C(C=C(C=C1)N2CCOS(=O)OCC2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 6743-75-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CC1OCC2C(O1)C3C(O3)C(O2)OC
Structure:
CAS RN: 6958-72-1
CAS Name: 2-chloro-4-[2-[3-chloro-4-hydroxy-5-(4-morpholinylmethyl)phenyl]propan-2-yl]-6-(4-morpholinylmethyl)phenol
OPENEYE Name: 2-chloro-4-[1-[3-chloro-4-hydroxy-5-(morpholinomethyl)phenyl]-1-methyl-ethyl]-6-(morpholinomethyl)phenol
IUPAC Name: 2-chloro-4-[2-[3-chloro-4-hydroxy-5-(morpholin-4-ylmethyl)phenyl]propan-2-yl]-6-(morpholin-4-ylmethyl)phenol
SYSTEMATIC NAME: 2-chloranyl-4-[2-[3-chloranyl-5-(morpholin-4-ylmethyl)-4-oxidanyl-phenyl]propan-2-yl]-6-(morpholin-4-ylmethyl)phenol
MOLECULAR FORMULA: C25H32Cl2N2O4
MOLECULAR WEIGHT: 495.43858
SMILES: CC(C)(C1=CC(=C(C(=C1)Cl)O)CN2CCOCC2)C3=CC(=C(C(=C3)Cl)O)CN4CCOCC4
Structure:
CAS RN: 89106-94-5
CAS Name: 10-(carbamoylamino)decylurea
OPENEYE Name: 10-ureidodecylurea
IUPAC Name: 10-(carbamoylamino)decylurea
SYSTEMATIC NAME: 1-[10-(aminocarbonylamino)decyl]urea
MOLECULAR FORMULA: C12H26N4O2
MOLECULAR WEIGHT: 258.36044
SMILES: C(CCCCCNC(=O)N)CCCCNC(=O)N
Structure:
CAS RN: 6968-50-9
CAS Name: 4,5,6,7-tetrachloro-2-(dimethylamino)isoindole-1,3-dione
OPENEYE Name: 4,5,6,7-tetrachloro-2-(dimethylamino)isoindoline-1,3-dione
IUPAC Name: 4,5,6,7-tetrachloro-2-(dimethylamino)isoindole-1,3-dione
SYSTEMATIC NAME: 4,5,6,7-tetrakis(chloranyl)-2-(dimethylamino)isoindole-1,3-dione
MOLECULAR FORMULA: C10H6Cl4N2O2
MOLECULAR WEIGHT: 327.97884
SMILES: CN(C)N1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl
Structure:
CAS RN: 17998-18-4
CAS Name: 1-(1-aziridinyl)phthalazine
OPENEYE Name: 1-(aziridin-1-yl)phthalazine
IUPAC Name: 1-(aziridin-1-yl)phthalazine
SYSTEMATIC NAME: 1-(aziridin-1-yl)phthalazine
MOLECULAR FORMULA: C10H9N3
MOLECULAR WEIGHT: 171.19856
SMILES: C1CN1C2=NN=CC3=CC=CC=C32
Structure:
CAS RN: 21240-00-6
CAS Name: 1-(1-aziridinyl)phthalazine
OPENEYE Name: 1-(aziridin-1-yl)phthalazine
IUPAC Name: 1-(aziridin-1-yl)phthalazine
SYSTEMATIC NAME: 1-(aziridin-1-yl)phthalazine
MOLECULAR FORMULA: C10H9N3
MOLECULAR WEIGHT: 171.19856
SMILES: C1CN1C2=NN=CC3=CC=CC=C32
Structure:
CAS RN: 5388-40-9
CAS Name: 4-[(3,4-dichlorophenyl)methylthio]-6,7-dimethoxycinnoline
OPENEYE Name: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6,7-dimethoxy-cinnoline
IUPAC Name: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6,7-dimethoxycinnoline
SYSTEMATIC NAME: 4-[(3,4-dichlorophenyl)methylsulfanyl]-6,7-dimethoxy-cinnoline
MOLECULAR FORMULA: C17H14Cl2N2O2S
MOLECULAR WEIGHT: 381.27626
SMILES: COC1=C(C=C2C(=C1)C(=CN=N2)SCC3=CC(=C(C=C3)Cl)Cl)OC
Structure:
CAS RN: 3438-77-5
CAS Name: 7-(methylthio)-5,6-dihydroimidazo[4,5-d]pyridazin-4-one
OPENEYE Name: 7-methylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazin-4-one
IUPAC Name: 7-methylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazin-4-one
SYSTEMATIC NAME: 7-methylsulfanyl-5,6-dihydroimidazo[4,5-d]pyridazin-4-one
MOLECULAR FORMULA: C6H6N4OS
MOLECULAR WEIGHT: 182.20304
SMILES: CSC1=C2C(=NC=N2)C(=O)NN1
Structure:
CAS RN: 6958-53-8
CAS Name: 6-methyl-2-(phenylmethyl)-3-pyridazinone
OPENEYE Name: 2-benzyl-6-methyl-pyridazin-3-one
IUPAC Name: 2-benzyl-6-methylpyridazin-3-one
SYSTEMATIC NAME: 6-methyl-2-(phenylmethyl)pyridazin-3-one
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CC1=NN(C(=O)C=C1)CC2=CC=CC=C2
Structure:
CAS RN: 199189-67-8
CAS Name: 2-methyl-1-[(2-methyl-1-aziridinyl)sulfonyl]aziridine
OPENEYE Name: 2-methyl-1-(2-methylaziridin-1-yl)sulfonyl-aziridine
IUPAC Name: 2-methyl-1-(2-methylaziridin-1-yl)sulfonylaziridine
SYSTEMATIC NAME: 2-methyl-1-(2-methylaziridin-1-yl)sulfonyl-aziridine
MOLECULAR FORMULA: C6H12N2O2S
MOLECULAR WEIGHT: 176.23668
SMILES: CC1CN1S(=O)(=O)N2CC2C
Structure:
CAS RN: 14399-63-4
CAS Name: 2-(1-hydroxycyclohexyl)acetic acid
OPENEYE Name: 2-(1-hydroxycyclohexyl)acetic acid
IUPAC Name: 2-(1-hydroxycyclohexyl)acetic acid
SYSTEMATIC NAME: 2-(1-oxidanylcyclohexyl)ethanoic acid
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: C1CCC(CC1)(CC(=O)O)O
Structure:
CAS RN: 87559-64-6
CAS Name: (4-methoxyphenyl)methylimino-oxido-phenylammonium
OPENEYE Name: (4-methoxyphenyl)methylimino-oxido-phenyl-ammonium
IUPAC Name: (4-methoxyphenyl)methylimino-oxido-phenylazanium
SYSTEMATIC NAME: (4-methoxyphenyl)methylimino-oxidanidyl-phenyl-azanium
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: COC1=CC=C(C=C1)CN=[N+](C2=CC=CC=C2)[O-]
Structure:
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