CAS RN: 6307-01-3
CAS Name: 5-phenyl-2,6-bis(phenylmethyl)-4-pyrimidinamine
OPENEYE Name: 2,6-dibenzyl-5-phenyl-pyrimidin-4-amine
IUPAC Name: 2,6-dibenzyl-5-phenylpyrimidin-4-amine
SYSTEMATIC NAME: 5-phenyl-2,6-bis(phenylmethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C24H21N3
MOLECULAR WEIGHT: 351.44364
SMILES: C1=CC=C(C=C1)CC2=C(C(=NC(=N2)CC3=CC=CC=C3)N)C4=CC=CC=C4
Structure:
CAS RN: 6302-28-9
CAS Name: N-(3-chloro-2-methylphenyl)-2-(diethylamino)propanamide
OPENEYE Name: N-(3-chloro-2-methyl-phenyl)-2-(diethylamino)propanamide
IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(diethylamino)propanamide
SYSTEMATIC NAME: N-(3-chloranyl-2-methyl-phenyl)-2-(diethylamino)propanamide
MOLECULAR FORMULA: C14H21ClN2O
MOLECULAR WEIGHT: 268.78234
SMILES: CCN(CC)C(C)C(=O)NC1=C(C(=CC=C1)Cl)C
Structure:
CAS RN: 6302-27-8
CAS Name: 2-[[1-(diethylamino)-3-ethoxypropan-2-yl]-ethylamino]-N-(2,6-dimethylphenyl)acetamide
OPENEYE Name: 2-[[1-(diethylaminomethyl)-2-ethoxy-ethyl]-ethyl-amino]-N-(2,6-dimethylphenyl)acetamide
IUPAC Name: 2-[[1-(diethylamino)-3-ethoxypropan-2-yl]-ethylamino]-N-(2,6-dimethylphenyl)acetamide
SYSTEMATIC NAME: 2-[[1-(diethylamino)-3-ethoxy-propan-2-yl]-ethyl-amino]-N-(2,6-dimethylphenyl)ethanamide
MOLECULAR FORMULA: C21H37N3O2
MOLECULAR WEIGHT: 363.53738
SMILES: CCN(CC)CC(COCC)N(CC)CC(=O)NC1=C(C=CC=C1C)C
Structure:
CAS RN: 6305-24-4
CAS Name: 2-chloro-3-(8-quinolinyloxy)naphthalene-1,4-dione
OPENEYE Name: 2-chloro-3-(8-quinolyloxy)naphthalene-1,4-dione
IUPAC Name: 2-chloro-3-quinolin-8-yloxynaphthalene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-quinolin-8-yloxy-naphthalene-1,4-dione
MOLECULAR FORMULA: C19H10ClNO3
MOLECULAR WEIGHT: 335.7406
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)OC3=CC=CC4=C3N=CC=C4
Structure:
CAS RN: 6305-69-7
CAS Name: 2-(9-carbazolyl)-3-chloronaphthalene-1,4-dione
OPENEYE Name: 2-carbazol-9-yl-3-chloro-naphthalene-1,4-dione
IUPAC Name: 2-carbazol-9-yl-3-chloronaphthalene-1,4-dione
SYSTEMATIC NAME: 2-carbazol-9-yl-3-chloranyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C22H12ClNO2
MOLECULAR WEIGHT: 357.78918
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N3C4=CC=CC=C4C5=CC=CC=C53
Structure:
CAS RN: 51954-45-1
CAS Name: (diphenylmethyl)-trimethylammonium
OPENEYE Name: benzhydryl(trimethyl)ammonium
IUPAC Name: benzhydryl(trimethyl)azanium
SYSTEMATIC NAME: (diphenylmethyl)-trimethyl-azanium
MOLECULAR FORMULA: C16H20N+
MOLECULAR WEIGHT: 226.3367
SMILES: C[N+](C)(C)C(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 6338-69-8
CAS Name: 4-amino-4-methyl-2-pentanol; 2,3,4,5,6-pentachlorophenol
OPENEYE Name: 4-amino-4-methyl-pentan-2-ol; 2,3,4,5,6-pentachlorophenol
IUPAC Name: 4-amino-4-methylpentan-2-ol; 2,3,4,5,6-pentachlorophenol
SYSTEMATIC NAME: 4-azanyl-4-methyl-pentan-2-ol; 2,3,4,5,6-pentakis(chloranyl)phenol
MOLECULAR FORMULA: C12H16Cl5NO2
MOLECULAR WEIGHT: 383.52594
SMILES: CC(CC(C)(C)N)O.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
Structure:
CAS RN: 6313-16-2
CAS Name: (3-hydroxy-2,4-dimethoxybutyl)-iodomercury
OPENEYE Name: (3-hydroxy-2,4-dimethoxy-butyl)-iodo-mercury
IUPAC Name: (3-hydroxy-2,4-dimethoxybutyl)-iodomercury
SYSTEMATIC NAME: (2,4-dimethoxy-3-oxidanyl-butyl)-iodanyl-mercury
MOLECULAR FORMULA: C6H13HgIO3
MOLECULAR WEIGHT: 460.66009
SMILES: COCC(C(C[Hg]I)OC)O
Structure:
CAS RN: 6937-22-0
CAS Name: 2,3-bis(4-morpholinyl)-3-(1-naphthalenyl)-1-phenyl-1-propanone
OPENEYE Name: 2,3-dimorpholino-3-(1-naphthyl)-1-phenyl-propan-1-one
IUPAC Name: 2,3-dimorpholin-4-yl-3-naphthalen-1-yl-1-phenylpropan-1-one
SYSTEMATIC NAME: 2,3-dimorpholin-4-yl-3-naphthalen-1-yl-1-phenyl-propan-1-one
MOLECULAR FORMULA: C27H30N2O3
MOLECULAR WEIGHT: 430.5387
SMILES: C1COCCN1C(C2=CC=CC3=CC=CC=C32)C(C(=O)C4=CC=CC=C4)N5CCOCC5
Structure:
CAS RN: 6313-09-3
CAS Name: 2-(4-ethyl-2-hydroxy-2-phenyl-3-morpholinyl)-1-phenylethanone
OPENEYE Name: 2-(4-ethyl-2-hydroxy-2-phenyl-morpholin-3-yl)-1-phenyl-ethanone
IUPAC Name: 2-(4-ethyl-2-hydroxy-2-phenylmorpholin-3-yl)-1-phenylethanone
SYSTEMATIC NAME: 2-(4-ethyl-2-oxidanyl-2-phenyl-morpholin-3-yl)-1-phenyl-ethanone
MOLECULAR FORMULA: C20H23NO3
MOLECULAR WEIGHT: 325.40152
SMILES: CCN1CCOC(C1CC(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 6313-95-7
CAS Name: 3-hydroxy-4-sulfo-2-naphthalenecarboxylic acid
OPENEYE Name: 3-hydroxy-4-sulfo-naphthalene-2-carboxylic acid
IUPAC Name: 3-hydroxy-4-sulfonaphthalene-2-carboxylic acid
SYSTEMATIC NAME: 3-oxidanyl-4-sulfo-naphthalene-2-carboxylic acid
MOLECULAR FORMULA: C11H8O6S
MOLECULAR WEIGHT: 268.24262
SMILES: C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)O)C(=O)O
Structure:
CAS RN: 6313-92-4
CAS Name: 2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitroguanidine
OPENEYE Name: 2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitro-guanidine
IUPAC Name: 2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitroguanidine
SYSTEMATIC NAME: 2-[2-(2-nitramido-4,5-dihydroimidazol-1-yl)ethyl]-1-nitro-guanidine
MOLECULAR FORMULA: C6H12N8O4
MOLECULAR WEIGHT: 260.21068
SMILES: C1CN(C(=N1)N[N+](=O)[O-])CCN=C(N)N[N+](=O)[O-]
Structure:
CAS RN: 6337-09-3
CAS Name: 4-amino-1-hydroxy-2-methylanthracene-9,10-dione
OPENEYE Name: 4-amino-1-hydroxy-2-methyl-anthracene-9,10-dione
IUPAC Name: 4-amino-1-hydroxy-2-methylanthracene-9,10-dione
SYSTEMATIC NAME: 4-azanyl-2-methyl-1-oxidanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C15H11NO3
MOLECULAR WEIGHT: 253.25274
SMILES: CC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)N
Structure:
CAS RN: 6937-76-4
CAS Name: 1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
OPENEYE Name: 1,5-dihydroxy-9,10-dioxo-anthracene-2,6-disulfonic acid
IUPAC Name: 1,5-dihydroxy-9,10-dioxoanthracene-2,6-disulfonic acid
SYSTEMATIC NAME: 1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2,6-disulfonic acid
MOLECULAR FORMULA: C14H8O10S2
MOLECULAR WEIGHT: 400.33732
SMILES: C1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3O)S(=O)(=O)O)O)S(=O)(=O)O
Structure:
CAS RN: 7505-56-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H14N2O3S
MOLECULAR WEIGHT: 458.48736
SMILES: C1=CC=C2C(=C1)C3=NSC4=C3C(=C(C=C4)NC5=CC6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)C2=O
Structure:
CAS RN: 6313-46-8
CAS Name: 1-amino-4-hydroxy-2-mercaptoanthracene-9,10-dione
OPENEYE Name: 1-amino-4-hydroxy-2-sulfanyl-anthracene-9,10-dione
IUPAC Name: 1-amino-4-hydroxy-2-sulfanylanthracene-9,10-dione
SYSTEMATIC NAME: 1-azanyl-4-oxidanyl-2-sulfanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C14H9NO3S
MOLECULAR WEIGHT: 271.29116
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)S)N
Structure:
CAS RN: 6936-93-2
CAS Name: 5,6-diphenyl-1,4-bis(phenylmethyl)-2,3-dihydropyrazine
OPENEYE Name: 1,4-dibenzyl-5,6-diphenyl-2,3-dihydropyrazine
IUPAC Name: 1,4-dibenzyl-5,6-diphenyl-2,3-dihydropyrazine
SYSTEMATIC NAME: 5,6-diphenyl-1,4-bis(phenylmethyl)-2,3-dihydropyrazine
MOLECULAR FORMULA: C30H28N2
MOLECULAR WEIGHT: 416.55672
SMILES: C1CN(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5
Structure:
CAS RN: 6313-25-3
CAS Name: 2,3-bis(4-morpholinyl)-1-(2-naphthalenyl)-3-phenyl-1-propanone
OPENEYE Name: 2,3-dimorpholino-1-(2-naphthyl)-3-phenyl-propan-1-one
IUPAC Name: 2,3-dimorpholin-4-yl-1-naphthalen-2-yl-3-phenylpropan-1-one
SYSTEMATIC NAME: 2,3-dimorpholin-4-yl-1-naphthalen-2-yl-3-phenyl-propan-1-one
MOLECULAR FORMULA: C27H30N2O3
MOLECULAR WEIGHT: 430.5387
SMILES: C1COCCN1C(C2=CC=CC=C2)C(C(=O)C3=CC4=CC=CC=C4C=C3)N5CCOCC5
Structure:
CAS RN: 6625-31-6
CAS Name: 3-[8-cyano-13-ethenyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester
OPENEYE Name: methyl 3-[8-cyano-18-(3-methoxy-3-oxo-propyl)-3,7,12,17-tetramethyl-13-vinyl-22,23-dihydroporphyrin-2-yl]propanoate
IUPAC Name: methyl 3-[8-cyano-13-ethenyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
SYSTEMATIC NAME: methyl 3-[8-cyano-13-ethenyl-18-(3-methoxy-3-oxidanylidene-propyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
MOLECULAR FORMULA: C35H35N5O4
MOLECULAR WEIGHT: 589.6835
SMILES: CC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C=C)C)C#N
Structure:
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