CAS RN: 22433-62-1
CAS Name: 5-(1-naphthalenyl)-4-pyrimidinamine
OPENEYE Name: 5-(1-naphthyl)pyrimidin-4-amine
IUPAC Name: 5-naphthalen-1-ylpyrimidin-4-amine
SYSTEMATIC NAME: 5-naphthalen-1-ylpyrimidin-4-amine
MOLECULAR FORMULA: C14H11N3
MOLECULAR WEIGHT: 221.25724
SMILES: C1=CC=C2C(=C1)C=CC=C2C3=CN=CN=C3N
Structure:
CAS RN: 1461-67-2
CAS Name: 5-iodo-6-methyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-iodo-6-methyl-1H-pyrimidine-2,4-dione
IUPAC Name: 5-iodo-6-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-iodanyl-6-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H5IN2O2
MOLECULAR WEIGHT: 252.00987
SMILES: CC1=C(C(=O)NC(=O)N1)I
Structure:
CAS RN: 1074-93-7
CAS Name: 4-chloro-1-oxido-3-pyridin-1-iumcarboxylic acid
OPENEYE Name: 4-chloro-1-oxido-pyridin-1-ium-3-carboxylic acid
IUPAC Name: 4-chloro-1-oxidopyridin-1-ium-3-carboxylic acid
SYSTEMATIC NAME: 4-chloranyl-1-oxidanidyl-pyridin-1-ium-3-carboxylic acid
MOLECULAR FORMULA: C6H4ClNO3
MOLECULAR WEIGHT: 173.55386
SMILES: C1=C[N+](=CC(=C1Cl)C(=O)O)[O-]
Structure:
CAS RN: 15031-43-3
CAS Name: 1,6-dimethyl-2-pyridinone
OPENEYE Name: 1,6-dimethylpyridin-2-one
IUPAC Name: 1,6-dimethylpyridin-2-one
SYSTEMATIC NAME: 1,6-dimethylpyridin-2-one
MOLECULAR FORMULA: C7H9NO
MOLECULAR WEIGHT: 123.15246
SMILES: CC1=CC=CC(=O)N1C
Structure:
CAS RN: 7418-65-7
CAS Name: 4-amino-3-pyridinecarboxylic acid
OPENEYE Name: 4-aminopyridine-3-carboxylic acid
IUPAC Name: 4-aminopyridine-3-carboxylic acid
SYSTEMATIC NAME: 4-azanylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H6N2O2
MOLECULAR WEIGHT: 138.12404
SMILES: C1=CN=CC(=C1N)C(=O)O
Structure:
CAS RN: 634-39-9
CAS Name: 2-methyl-5-quinolinecarboxylic acid
OPENEYE Name: 2-methylquinoline-5-carboxylic acid
IUPAC Name: 2-methylquinoline-5-carboxylic acid
SYSTEMATIC NAME: 2-methylquinoline-5-carboxylic acid
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: CC1=NC2=CC=CC(=C2C=C1)C(=O)O
Structure:
CAS RN: 1501-34-4
CAS Name: 4-(4-methyl-3-oxo-2-quinoxalinyl)butanoic acid
OPENEYE Name: 4-(4-methyl-3-oxo-quinoxalin-2-yl)butanoic acid
IUPAC Name: 4-(4-methyl-3-oxoquinoxalin-2-yl)butanoic acid
SYSTEMATIC NAME: 4-(4-methyl-3-oxidanylidene-quinoxalin-2-yl)butanoic acid
MOLECULAR FORMULA: C13H14N2O3
MOLECULAR WEIGHT: 246.26186
SMILES: CN1C2=CC=CC=C2N=C(C1=O)CCCC(=O)O
Structure:
CAS RN: 35824-85-2
CAS Name: 4-chloro-1,3-dimethyl-2,6-dioxo-5-pyrimidinecarboxaldehyde
OPENEYE Name: 4-chloro-1,3-dimethyl-2,6-dioxo-pyrimidine-5-carbaldehyde
IUPAC Name: 4-chloro-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 4-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C7H7ClN2O3
MOLECULAR WEIGHT: 202.59508
SMILES: CN1C(=C(C(=O)N(C1=O)C)C=O)Cl
Structure:
CAS RN: 66785-51-1
CAS Name: 3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-a]quinolin-1-one
OPENEYE Name: 3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-a]quinolin-1-one
IUPAC Name: 3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-a]quinolin-1-one
SYSTEMATIC NAME: 3,3a,4,5-tetrahydro-2H-pyrrolo[1,2-a]quinolin-1-one
MOLECULAR FORMULA: C12H13NO
MOLECULAR WEIGHT: 187.23772
SMILES: C1CC2=CC=CC=C2N3C1CCC3=O
Structure:
CAS RN: 40110-63-2
CAS Name: 6-[2-(1,3-benzodioxol-5-yl)ethenyl]pteridine-2,4-diamine
OPENEYE Name: 6-[2-(1,3-benzodioxol-5-yl)vinyl]pteridine-2,4-diamine
IUPAC Name: 6-[2-(1,3-benzodioxol-5-yl)ethenyl]pteridine-2,4-diamine
SYSTEMATIC NAME: 6-[2-(1,3-benzodioxol-5-yl)ethenyl]pteridine-2,4-diamine
MOLECULAR FORMULA: C15H12N6O2
MOLECULAR WEIGHT: 308.29478
SMILES: C1OC2=C(O1)C=C(C=C2)C=CC3=CN=C4C(=N3)C(=NC(=N4)N)N
Structure:
CAS RN: 54953-03-6
CAS Name: 1-(4-methoxyphenyl)-2,2-dimethyl-1-propanone hydrazone
OPENEYE Name: 1-(4-methoxyphenyl)-2,2-dimethyl-propan-1-one hydrazone
IUPAC Name: [1-(4-methoxyphenyl)-2,2-dimethylpropylidene]hydrazine
SYSTEMATIC NAME: [1-(4-methoxyphenyl)-2,2-dimethyl-propylidene]diazane
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: CC(C)(C)C(=NN)C1=CC=C(C=C1)OC
Structure:
CAS RN: 17203-03-1
CAS Name: 2-[3-(diethylamino)prop-2-enylidene]propanedinitrile
OPENEYE Name: 2-[3-(diethylamino)prop-2-enylidene]propanedinitrile
IUPAC Name: 2-[3-(diethylamino)prop-2-enylidene]propanedinitrile
SYSTEMATIC NAME: 2-[3-(diethylamino)prop-2-enylidene]propanedinitrile
MOLECULAR FORMULA: C10H13N3
MOLECULAR WEIGHT: 175.23032
SMILES: CCN(CC)C=CC=C(C#N)C#N
Structure:
CAS RN: 24115-28-4
CAS Name: 2-[(N-methylanilino)methylidene]propanedinitrile
OPENEYE Name: 2-[(N-methylanilino)methylene]propanedinitrile
IUPAC Name: 2-[(N-methylanilino)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[methyl(phenyl)amino]methylidene]propanedinitrile
MOLECULAR FORMULA: C11H9N3
MOLECULAR WEIGHT: 183.20926
SMILES: CN(C=C(C#N)C#N)C1=CC=CC=C1
Structure:
CAS RN: 37041-15-9
CAS Name: 2-[(N-methylanilino)methylidene]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(N-methylanilino)methylene]propanedioate
IUPAC Name: diethyl 2-[(N-methylanilino)methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[methyl(phenyl)amino]methylidene]propanedioate
MOLECULAR FORMULA: C15H19NO4
MOLECULAR WEIGHT: 277.31566
SMILES: CCOC(=O)C(=CN(C)C1=CC=CC=C1)C(=O)OCC
Structure:
CAS RN: 42506-13-8
CAS Name: N1,N1,N1',N1'-tetramethyl-2-nitroethene-1,1-diamine
OPENEYE Name: N1,N1,N1',N1'-tetramethyl-2-nitro-ethene-1,1-diamine
IUPAC Name: 1-N,1-N,1-N',1-N'-tetramethyl-2-nitroethene-1,1-diamine
SYSTEMATIC NAME: N1,N1,N1',N1'-tetramethyl-2-nitro-ethene-1,1-diamine
MOLECULAR FORMULA: C6H13N3O2
MOLECULAR WEIGHT: 159.18632
SMILES: CN(C)C(=C[N+](=O)[O-])N(C)C
Structure:
CAS RN: 25241-08-1
CAS Name: 2-cyano-3-(dimethylamino)-3-(methylthio)-2-propenoic acid methyl ester
OPENEYE Name: methyl 2-cyano-3-(dimethylamino)-3-methylsulfanyl-prop-2-enoate
IUPAC Name: methyl 2-cyano-3-(dimethylamino)-3-methylsulfanylprop-2-enoate
SYSTEMATIC NAME: methyl 2-cyano-3-(dimethylamino)-3-methylsulfanyl-prop-2-enoate
MOLECULAR FORMULA: C8H12N2O2S
MOLECULAR WEIGHT: 200.25808
SMILES: CN(C)C(=C(C#N)C(=O)OC)SC
Structure:
CAS RN: 3490-92-4
CAS Name: 2-cyano-3,3-bis(methylthio)-2-propenoic acid methyl ester
OPENEYE Name: methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
IUPAC Name: methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
SYSTEMATIC NAME: methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate
MOLECULAR FORMULA: C7H9NO2S2
MOLECULAR WEIGHT: 203.28186
SMILES: COC(=O)C(=C(SC)SC)C#N
Structure:
CAS RN: 348-40-3
CAS Name: 6-fluoro-1,3-benzothiazol-2-amine
OPENEYE Name: 6-fluoro-1,3-benzothiazol-2-amine
IUPAC Name: 6-fluoro-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 6-fluoranyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C7H5FN2S
MOLECULAR WEIGHT: 168.191403
SMILES: C1=CC2=C(C=C1F)SC(=N2)N
Structure:
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