CAS RN: 66709-63-5
CAS Name: N2-butyl-6-undecyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2-butyl-6-undecyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N-butyl-6-undecyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-butyl-6-undecyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C18H35N5
MOLECULAR WEIGHT: 321.504
SMILES: CCCCCCCCCCCC1=NC(=NC(=N1)NCCCC)N
Structure:
CAS RN: 66709-64-6
CAS Name: N2-butyl-6-tridecyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2-butyl-6-tridecyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N-butyl-6-tridecyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-butyl-6-tridecyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C20H39N5
MOLECULAR WEIGHT: 349.55716
SMILES: CCCCCCCCCCCCCC1=NC(=NC(=N1)NCCCC)N
Structure:
CAS RN: 66709-75-9
CAS Name: 4-heptyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
OPENEYE Name: 4-heptyl-6-morpholino-1,3,5-triazin-2-amine
IUPAC Name: 4-heptyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-heptyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C14H25N5O
MOLECULAR WEIGHT: 279.3812
SMILES: CCCCCCCC1=NC(=NC(=N1)N)N2CCOCC2
Structure:
CAS RN: 66709-79-3
CAS Name: 4-(4-morpholinyl)-6-tridecyl-1,3,5-triazin-2-amine
OPENEYE Name: 4-morpholino-6-tridecyl-1,3,5-triazin-2-amine
IUPAC Name: 4-morpholin-4-yl-6-tridecyl-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4-morpholin-4-yl-6-tridecyl-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C20H37N5O
MOLECULAR WEIGHT: 363.54068
SMILES: CCCCCCCCCCCCCC1=NC(=NC(=N1)N)N2CCOCC2
Structure:
CAS RN: 5202-30-2
CAS Name: 1-[amino(decylimino)methyl]-2-(4-tetradecoxyphenyl)sulfonylguanidine
OPENEYE Name: 1-(N'-decylcarbamimidoyl)-2-(4-tetradecoxyphenyl)sulfonyl-guanidine
IUPAC Name: 1-(N'-decylcarbamimidoyl)-2-(4-tetradecoxyphenyl)sulfonylguanidine
SYSTEMATIC NAME: 1-(N'-decylcarbamimidoyl)-2-(4-tetradecoxyphenyl)sulfonyl-guanidine
MOLECULAR FORMULA: C32H59N5O3S
MOLECULAR WEIGHT: 593.90756
SMILES: CCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(N)NC(=NCCCCCCCCCC)N
Structure:
CAS RN: 58076-15-6
CAS Name: 1-[amino(decylimino)methyl]-2-(4-tetradecoxyphenyl)sulfonylguanidine
OPENEYE Name: 1-(N'-decylcarbamimidoyl)-2-(4-tetradecoxyphenyl)sulfonyl-guanidine
IUPAC Name: 1-(N'-decylcarbamimidoyl)-2-(4-tetradecoxyphenyl)sulfonylguanidine
SYSTEMATIC NAME: 1-(N'-decylcarbamimidoyl)-2-(4-tetradecoxyphenyl)sulfonyl-guanidine
MOLECULAR FORMULA: C32H59N5O3S
MOLECULAR WEIGHT: 593.90756
SMILES: CCCCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(N)NC(=NCCCCCCCCCC)N
Structure:
CAS RN: 58076-11-2
CAS Name: 1-[amino(decylimino)methyl]-2-(4-nonoxyphenyl)sulfonylguanidine
OPENEYE Name: 1-(N'-decylcarbamimidoyl)-2-(4-nonoxyphenyl)sulfonyl-guanidine
IUPAC Name: 1-(N'-decylcarbamimidoyl)-2-(4-nonoxyphenyl)sulfonylguanidine
SYSTEMATIC NAME: 1-(N'-decylcarbamimidoyl)-2-(4-nonoxyphenyl)sulfonyl-guanidine
MOLECULAR FORMULA: C27H49N5O3S
MOLECULAR WEIGHT: 523.77466
SMILES: CCCCCCCCCCN=C(N)NC(=NS(=O)(=O)C1=CC=C(C=C1)OCCCCCCCCC)N
Structure:
CAS RN: 14482-28-1
CAS Name: (phenylthio)methanesulfonamide
OPENEYE Name: phenylsulfanylmethanesulfonamide
IUPAC Name: phenylsulfanylmethanesulfonamide
SYSTEMATIC NAME: phenylsulfanylmethanesulfonamide
MOLECULAR FORMULA: C7H9NO2S2
MOLECULAR WEIGHT: 203.28186
SMILES: C1=CC=C(C=C1)SCS(=O)(=O)N
Structure:
CAS RN: 33644-98-3
CAS Name: acetic acid (10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
IUPAC Name: (10,13-dimethyl-3-oxo-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
SYSTEMATIC NAME: (10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ethanoate
MOLECULAR FORMULA: C21H28O3
MOLECULAR WEIGHT: 328.44522
SMILES: CC(=O)OC1CCC2C1(CC=C3C2CCC4=CC(=O)CCC43C)C
Structure:
CAS RN: 474-63-5
CAS Name: 10,13-dimethyl-17-(6-methyl-5-methyleneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: 17-(1,5-dimethyl-4-methylene-hexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: 10,13-dimethyl-17-(6-methyl-5-methylideneheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: 10,13-dimethyl-17-(6-methyl-5-methylidene-heptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C28H46O
MOLECULAR WEIGHT: 398.66424
SMILES: CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Structure:
CAS RN: 511-93-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCCC6)C)C)C)OC1
Structure:
CAS RN: 1701-18-4
CAS Name: 2-(trifluoromethyl)-1H-quinolin-4-one
OPENEYE Name: 2-(trifluoromethyl)-1H-quinolin-4-one
IUPAC Name: 2-(trifluoromethyl)-1H-quinolin-4-one
SYSTEMATIC NAME: 2-(trifluoromethyl)-1H-quinolin-4-one
MOLECULAR FORMULA: C10H6F3NO
MOLECULAR WEIGHT: 213.15595
SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(F)(F)F
Structure:
CAS RN: 55558-92-4
CAS Name: [4-methyl-6-(2-phenyliminopropyl)-2-pyrimidinyl]cyanamide
OPENEYE Name: [4-methyl-6-(2-phenyliminopropyl)pyrimidin-2-yl]cyanamide
IUPAC Name: [4-methyl-6-(2-phenyliminopropyl)pyrimidin-2-yl]cyanamide
SYSTEMATIC NAME: [4-methyl-6-(2-phenyliminopropyl)pyrimidin-2-yl]cyanamide
MOLECULAR FORMULA: C15H15N5
MOLECULAR WEIGHT: 265.3131
SMILES: CC1=CC(=NC(=N1)NC#N)CC(=NC2=CC=CC=C2)C
Structure:
CAS RN: 55558-87-7
CAS Name: [4-methyl-6-(2-oxopropyl)-2-pyrimidinyl]cyanamide
OPENEYE Name: (4-acetonyl-6-methyl-pyrimidin-2-yl)cyanamide
IUPAC Name: [4-methyl-6-(2-oxopropyl)pyrimidin-2-yl]cyanamide
SYSTEMATIC NAME: [4-methyl-6-(2-oxidanylidenepropyl)pyrimidin-2-yl]cyanamide
MOLECULAR FORMULA: C9H10N4O
MOLECULAR WEIGHT: 190.2019
SMILES: CC1=CC(=NC(=N1)NC#N)CC(=O)C
Structure:
CAS RN: 58416-76-5
CAS Name: 4-amino-N-[4-ethyl-5-(2-hydroxyphenyl)-6-phenyl-2-pyrimidinyl]benzenesulfonamide
OPENEYE Name: 4-amino-N-[4-ethyl-5-(2-hydroxyphenyl)-6-phenyl-pyrimidin-2-yl]benzenesulfonamide
IUPAC Name: 4-amino-N-[4-ethyl-5-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-[4-ethyl-5-(2-hydroxyphenyl)-6-phenyl-pyrimidin-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C24H22N4O3S
MOLECULAR WEIGHT: 446.52148
SMILES: CCC1=NC(=NC(=C1C2=CC=CC=C2O)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)N
Structure:
CAS RN: 18456-30-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12O4
MOLECULAR WEIGHT: 292.28548
SMILES: C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)O)C(=O)OC4=O
Structure:
CAS RN: 53907-40-7
CAS Name: 4-bromo-3H-1,3-oxazine-2,6-dione
OPENEYE Name: 4-bromo-3H-1,3-oxazine-2,6-dione
IUPAC Name: 4-bromo-3H-1,3-oxazine-2,6-dione
SYSTEMATIC NAME: 4-bromanyl-3H-1,3-oxazine-2,6-dione
MOLECULAR FORMULA: C4H2BrNO3
MOLECULAR WEIGHT: 191.96758
SMILES: C1=C(NC(=O)OC1=O)Br
Structure:
CAS RN: 56875-78-6
CAS Name: 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 3-[6-(6-carboxy-2,4-dioxo-1H-pyrimidin-3-yl)hexyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 3-[6-[6-carboxy-2,4-bis(oxidanylidene)-1H-pyrimidin-3-yl]hexyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C16H18N4O8
MOLECULAR WEIGHT: 394.33612
SMILES: C1=C(NC(=O)N(C1=O)CCCCCCN2C(=O)C=C(NC2=O)C(=O)O)C(=O)O
Structure:
CAS RN: 56875-76-4
CAS Name: 3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
OPENEYE Name: 3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
IUPAC Name: 3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SYSTEMATIC NAME: 3-butyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid
MOLECULAR FORMULA: C9H12N2O4
MOLECULAR WEIGHT: 212.20258
SMILES: CCCCN1C(=O)C=C(NC1=O)C(=O)O
Structure:
CAS RN: 401-76-3
CAS Name: 2-(3-fluorophenyl)-2-propanol
OPENEYE Name: 2-(3-fluorophenyl)propan-2-ol
IUPAC Name: 2-(3-fluorophenyl)propan-2-ol
SYSTEMATIC NAME: 2-(3-fluorophenyl)propan-2-ol
MOLECULAR FORMULA: C9H11FO
MOLECULAR WEIGHT: 154.181443
SMILES: CC(C)(C1=CC(=CC=C1)F)O
Structure:
CAS RN: 2262-87-5
CAS Name: N,N'-ditert-butyl-2,2,3,3,4,4-hexafluoropentanediamide
OPENEYE Name: N,N'-ditert-butyl-2,2,3,3,4,4-hexafluoro-pentanediamide
IUPAC Name: N,N'-ditert-butyl-2,2,3,3,4,4-hexafluoropentanediamide
SYSTEMATIC NAME: N,N'-ditert-butyl-2,2,3,3,4,4-hexakis(fluoranyl)pentanediamide
MOLECULAR FORMULA: C13H20F6N2O2
MOLECULAR WEIGHT: 350.300519
SMILES: CC(C)(C)NC(=O)C(C(C(C(=O)NC(C)(C)C)(F)F)(F)F)(F)F
Structure:
CAS RN: 66366-30-1
CAS Name: 5-[2-(diethylamino)ethylthio]-1,3,4-thiadiazol-2-amine
OPENEYE Name: 5-[2-(diethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-[2-(diethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
SYSTEMATIC NAME: 5-[2-(diethylamino)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
MOLECULAR FORMULA: C8H16N4S2
MOLECULAR WEIGHT: 232.36944
SMILES: CCN(CC)CCSC1=NN=C(S1)N
Structure:
CAS RN: 29850-00-8
CAS Name: N-[2-(dimethylamino)ethyl]-2-hydroxy-N,2,2-triphenylacetamide
OPENEYE Name: N-[2-(dimethylamino)ethyl]-2-hydroxy-N,2,2-triphenyl-acetamide
IUPAC Name: N-[2-(dimethylamino)ethyl]-2-hydroxy-N,2,2-triphenylacetamide
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2-oxidanyl-N,2,2-triphenyl-ethanamide
MOLECULAR FORMULA: C24H26N2O2
MOLECULAR WEIGHT: 374.47544
SMILES: CN(C)CCN(C1=CC=CC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 50444-76-3
CAS Name: 2-acetamido-3-(2-fluoro-1H-imidazol-5-yl)propanoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-3-(2-fluoro-1H-imidazol-5-yl)propanoate
IUPAC Name: methyl 2-acetamido-3-(2-fluoro-1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: methyl 2-acetamido-3-(2-fluoranyl-1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C9H12FN3O3
MOLECULAR WEIGHT: 229.208283
SMILES: CC(=O)NC(CC1=CN=C(N1)F)C(=O)OC
Structure:
CAS RN: 39037-21-3
CAS Name: 2-acetamido-3-(2-amino-1H-imidazol-5-yl)propanoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-3-(2-amino-1H-imidazol-5-yl)propanoate
IUPAC Name: methyl 2-acetamido-3-(2-amino-1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: methyl 2-acetamido-3-(2-azanyl-1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C9H14N4O3
MOLECULAR WEIGHT: 226.23246
SMILES: CC(=O)NC(CC1=CN=C(N1)N)C(=O)OC
Structure:
CAS RN: 36097-48-0
CAS Name: 2-acetamido-3-(1H-imidazol-5-yl)propanoic acid methyl ester
OPENEYE Name: methyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate
IUPAC Name: methyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate
SYSTEMATIC NAME: methyl 2-acetamido-3-(1H-imidazol-5-yl)propanoate
MOLECULAR FORMULA: C9H13N3O3
MOLECULAR WEIGHT: 211.21782
SMILES: CC(=O)NC(CC1=CN=CN1)C(=O)OC
Structure:
CAS RN: 7702-26-3
CAS Name: benzoic acid (3,5-dibenzoyloxy-4-methylsulfonyloxy-2-oxolanyl)methyl ester
OPENEYE Name: (3,5-dibenzoyloxy-4-methylsulfonyloxy-tetrahydrofuran-2-yl)methyl benzoate
IUPAC Name: (3,5-dibenzoyloxy-4-methylsulfonyloxyoxolan-2-yl)methyl benzoate
SYSTEMATIC NAME: [4-methylsulfonyloxy-3,5-bis(phenylcarbonyloxy)oxolan-2-yl]methyl benzoate
MOLECULAR FORMULA: C27H24O10S
MOLECULAR WEIGHT: 540.53846
SMILES: CS(=O)(=O)OC1C(C(OC1OC(=O)C2=CC=CC=C2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 59324-30-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H17N3O
MOLECULAR WEIGHT: 255.31498
SMILES: C1CC(C(=O)NC1)C2=NC3=CC=CC4=C3N2CCC4
Structure:
CAS RN: 52050-76-7
CAS Name: 1-oxo-5-phenyl-1-(phenylmethyl)-2,3-dihydro-1$l^{5}-phosphol-4-ol
OPENEYE Name: 1-benzyl-1-oxo-5-phenyl-2,3-dihydro-1$l^{5}-phosphol-4-ol
IUPAC Name: 1-benzyl-1-oxo-5-phenyl-2,3-dihydro-1$l^{5}-phosphol-4-ol
SYSTEMATIC NAME: 1-oxidanylidene-5-phenyl-1-(phenylmethyl)-2,3-dihydro-1$l^{5}-phosphol-4-ol
MOLECULAR FORMULA: C17H17O2P
MOLECULAR WEIGHT: 284.289441
SMILES: C1CP(=O)(C(=C1O)C2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 16832-24-9
CAS Name: 2-amino-3-[1-(phenylmethyl)-4-imidazolyl]propanoic acid
OPENEYE Name: 2-amino-3-(1-benzylimidazol-4-yl)propanoic acid
IUPAC Name: 2-amino-3-(1-benzylimidazol-4-yl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[1-(phenylmethyl)imidazol-4-yl]propanoic acid
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: C1=CC=C(C=C1)CN2C=C(N=C2)CC(C(=O)O)N
Structure:
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