CAS RN: 20271-42-5
CAS Name: 2-hydroxy-3-methyl-4-phenyl-3-butenoic acid
OPENEYE Name: 2-hydroxy-3-methyl-4-phenyl-but-3-enoic acid
IUPAC Name: 2-hydroxy-3-methyl-4-phenylbut-3-enoic acid
SYSTEMATIC NAME: 3-methyl-2-oxidanyl-4-phenyl-but-3-enoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CC(=CC1=CC=CC=C1)C(C(=O)O)O
Structure:
CAS RN: 66740-79-2
CAS Name: 6-heptadecyl-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-heptadecyl-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-heptadecyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-heptadecyl-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C22H43N5
MOLECULAR WEIGHT: 377.61032
SMILES: CCCCCCCCCCCCCCCCCC1=NC(=NC(=N1)N(C)C)N
Structure:
CAS RN: 66709-59-9
CAS Name: N2,N2-dimethyl-6-pentadecyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2,N2-dimethyl-6-pentadecyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N,2-N-dimethyl-6-pentadecyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2,N2-dimethyl-6-pentadecyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C20H39N5
MOLECULAR WEIGHT: 349.55716
SMILES: CCCCCCCCCCCCCCCC1=NC(=NC(=N1)N(C)C)N
Structure:
CAS RN: 66709-66-8
CAS Name: N2-butyl-6-heptadecyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2-butyl-6-heptadecyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N-butyl-6-heptadecyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-butyl-6-heptadecyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C24H47N5
MOLECULAR WEIGHT: 405.66348
SMILES: CCCCCCCCCCCCCCCCCC1=NC(=NC(=N1)NCCCC)N
Structure:
CAS RN: 66709-61-3
CAS Name: N2-butyl-6-nonyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2-butyl-6-nonyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N-butyl-6-nonyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-butyl-6-nonyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C16H31N5
MOLECULAR WEIGHT: 293.45084
SMILES: CCCCCCCCCC1=NC(=NC(=N1)NCCCC)N
Structure:
CAS RN: 70449-67-1
CAS Name: 3-acetamido-4-[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-4-oxobutanoic acid
OPENEYE Name: 3-acetamido-4-[2-(2-hydroxybenzoyl)hydrazino]-4-oxo-butanoic acid
IUPAC Name: 3-acetamido-4-[2-(2-hydroxybenzoyl)hydrazinyl]-4-oxobutanoic acid
SYSTEMATIC NAME: 3-acetamido-4-[2-(2-hydroxyphenyl)carbonylhydrazinyl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C13H15N3O6
MOLECULAR WEIGHT: 309.2747
SMILES: CC(=O)NC(CC(=O)O)C(=O)NNC(=O)C1=CC=CC=C1O
Structure:
CAS RN: 55099-19-9
CAS Name: (4,7-dihydroxy-1H-indol-3-yl)-(4-hydroxyphenyl)methanone
OPENEYE Name: (4,7-dihydroxy-1H-indol-3-yl)-(4-hydroxyphenyl)methanone
IUPAC Name: (4,7-dihydroxy-1H-indol-3-yl)-(4-hydroxyphenyl)methanone
SYSTEMATIC NAME: [4,7-bis(oxidanyl)-1H-indol-3-yl]-(4-hydroxyphenyl)methanone
MOLECULAR FORMULA: C15H11NO4
MOLECULAR WEIGHT: 269.25214
SMILES: C1=CC(=CC=C1C(=O)C2=CNC3=C(C=CC(=C23)O)O)O
Structure:
CAS RN: 55099-15-5
CAS Name: (4-hydroxy-7-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
OPENEYE Name: (4-hydroxy-7-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
IUPAC Name: (4-hydroxy-7-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: (7-methoxy-4-oxidanyl-1H-indol-3-yl)-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C17H15NO4
MOLECULAR WEIGHT: 297.3053
SMILES: COC1=CC=C(C=C1)C(=O)C2=CNC3=C(C=CC(=C23)O)OC
Structure:
CAS RN: 55099-18-8
CAS Name: (4,7-dihydroxy-1H-indol-3-yl)-phenylmethanone
OPENEYE Name: (4,7-dihydroxy-1H-indol-3-yl)-phenyl-methanone
IUPAC Name: (4,7-dihydroxy-1H-indol-3-yl)-phenylmethanone
SYSTEMATIC NAME: [4,7-bis(oxidanyl)-1H-indol-3-yl]-phenyl-methanone
MOLECULAR FORMULA: C15H11NO3
MOLECULAR WEIGHT: 253.25274
SMILES: C1=CC=C(C=C1)C(=O)C2=CNC3=C(C=CC(=C23)O)O
Structure:
CAS RN: 55099-14-4
CAS Name: (4-hydroxy-7-methoxy-1H-indol-3-yl)-phenylmethanone
OPENEYE Name: (4-hydroxy-7-methoxy-1H-indol-3-yl)-phenyl-methanone
IUPAC Name: (4-hydroxy-7-methoxy-1H-indol-3-yl)-phenylmethanone
SYSTEMATIC NAME: (7-methoxy-4-oxidanyl-1H-indol-3-yl)-phenyl-methanone
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: COC1=C2C(=C(C=C1)O)C(=CN2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 55099-17-7
CAS Name: 1-(4,7-dihydroxy-1H-indol-3-yl)ethanone
OPENEYE Name: 1-(4,7-dihydroxy-1H-indol-3-yl)ethanone
IUPAC Name: 1-(4,7-dihydroxy-1H-indol-3-yl)ethanone
SYSTEMATIC NAME: 1-[4,7-bis(oxidanyl)-1H-indol-3-yl]ethanone
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: CC(=O)C1=CNC2=C(C=CC(=C12)O)O
Structure:
CAS RN: 55099-13-3
CAS Name: 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone
OPENEYE Name: 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone
IUPAC Name: 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone
SYSTEMATIC NAME: 1-(4,7-dimethoxy-1H-indol-3-yl)ethanone
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC(=O)C1=CNC2=C(C=CC(=C12)OC)OC
Structure:
CAS RN: 37530-61-3
CAS Name: 5-(2-furanylmethylidene)-3-phenyl-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: 5-(2-furylmethylene)-3-phenyl-2-thioxo-thiazolidin-4-one
IUPAC Name: 5-(furan-2-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 5-(furan-2-ylmethylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C14H9NO2S2
MOLECULAR WEIGHT: 287.35676
SMILES: C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CO3)SC2=S
Structure:
CAS RN: 20619-23-2
CAS Name: N,N-diphenylpropanamide
OPENEYE Name: N,N-diphenylpropanamide
IUPAC Name: N,N-diphenylpropanamide
SYSTEMATIC NAME: N,N-diphenylpropanamide
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: CCC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 137-44-0
CAS Name: 1,4-dihydropyrazol-5-one
OPENEYE Name: 1,4-dihydropyrazol-5-one
IUPAC Name: 1,4-dihydropyrazol-5-one
SYSTEMATIC NAME: 1,4-dihydropyrazol-5-one
MOLECULAR FORMULA: C3H4N2O
MOLECULAR WEIGHT: 84.07666
SMILES: C1C=NNC1=O
Structure:
CAS RN: 3201-21-6
CAS Name: 3-ethoxy-5-methyl-1H-pyrazole
OPENEYE Name: 3-ethoxy-5-methyl-1H-pyrazole
IUPAC Name: 3-ethoxy-5-methyl-1H-pyrazole
SYSTEMATIC NAME: 3-ethoxy-5-methyl-1H-pyrazole
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: CCOC1=NNC(=C1)C
Structure:
CAS RN: 42499-41-2
CAS Name: 1-nitropiperazine
OPENEYE Name: 1-nitropiperazine
IUPAC Name: 1-nitropiperazine
SYSTEMATIC NAME: 1-nitropiperazine
MOLECULAR FORMULA: C4H9N3O2
MOLECULAR WEIGHT: 131.13316
SMILES: C1CN(CCN1)[N+](=O)[O-]
Structure:
CAS RN: 20090-69-1
CAS Name: 2-chloro-4-methyl-5-pyrimidinamine
OPENEYE Name: 2-chloro-4-methyl-pyrimidin-5-amine
IUPAC Name: 2-chloro-4-methylpyrimidin-5-amine
SYSTEMATIC NAME: 2-chloranyl-4-methyl-pyrimidin-5-amine
MOLECULAR FORMULA: C5H6ClN3
MOLECULAR WEIGHT: 143.57424
SMILES: CC1=NC(=NC=C1N)Cl
Structure:
CAS RN: 25093-02-1
CAS Name: 5-chloro-10H-acridarsine
OPENEYE Name: 5-chloro-10H-acridarsine
IUPAC Name: 5-chloro-10H-acridarsine
SYSTEMATIC NAME: 5-chloranyl-10H-acridarsine
MOLECULAR FORMULA: C13H10AsCl
MOLECULAR WEIGHT: 276.5931
SMILES: C1C2=CC=CC=C2[As](C3=CC=CC=C31)Cl
Structure:
CAS RN: 6859-68-3
CAS Name: 4,7-dichloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 4,7-dichloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 4,7-dichloro-3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 4,7-bis(chloranyl)-2',4',5',7'-tetrakis(iodanyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C20H6Cl2I4O5
MOLECULAR WEIGHT: 904.78252
SMILES: C1=CC(=C2C(=C1Cl)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I)Cl
Structure:
CAS RN: 107347-53-5
CAS Name: 3',6'-bis(dimethylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 3',6'-bis(dimethylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 3',6'-bis(dimethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C24H22N2O3
MOLECULAR WEIGHT: 386.44308
SMILES: CN(C)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(C)C)C5=CC=CC=C5C(=O)O3
Structure:
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