CAS RN: 13852-48-7
CAS Name: 2-amino-3-[4-[[bis(2-chloropropyl)amino]-oxomethoxy]phenyl]propanoic acid
OPENEYE Name: 2-amino-3-[4-[bis(2-chloropropyl)carbamoyloxy]phenyl]propanoic acid
IUPAC Name: 2-amino-3-[4-[bis(2-chloropropyl)carbamoyloxy]phenyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[4-[bis(2-chloranylpropyl)carbamoyloxy]phenyl]propanoic acid
MOLECULAR FORMULA: C16H22Cl2N2O4
MOLECULAR WEIGHT: 377.26288
SMILES: CC(CN(CC(C)Cl)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)N)Cl
Structure:
CAS RN: 3426-07-1
CAS Name: 3-[[amino(methyl)amino]methyl]phenol; phosphoric acid
OPENEYE Name: 3-[[amino(methyl)amino]methyl]phenol; phosphoric acid
IUPAC Name: 3-[[amino(methyl)amino]methyl]phenol; phosphoric acid
SYSTEMATIC NAME: 3-[[azanyl(methyl)amino]methyl]phenol; phosphoric acid
MOLECULAR FORMULA: C8H15N2O5P
MOLECULAR WEIGHT: 250.188861
SMILES: CN(CC1=CC(=CC=C1)O)N.OP(=O)(O)O
Structure:
CAS RN: 14504-87-1
CAS Name: 2-[[2-acetamido-3-(4-nitrophenyl)-1-oxopropyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
IUPAC Name: ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
SYSTEMATIC NAME: ethyl 2-[[2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate
MOLECULAR FORMULA: C26H32Cl2N4O6
MOLECULAR WEIGHT: 567.46148
SMILES: CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C
Structure:
CAS RN: 16854-73-2
CAS Name: propanebis(thioic acid) S1,S3-bis(4-methylphenyl) ester
OPENEYE Name: S1,S3-bis(p-tolyl) propanebis(thioate)
IUPAC Name: 1-S,3-S-bis(4-methylphenyl) propanebis(thioate)
SYSTEMATIC NAME: S1,S3-bis(4-methylphenyl) propanebis(thioate)
MOLECULAR FORMULA: C17H16O2S2
MOLECULAR WEIGHT: 316.43774
SMILES: CC1=CC=C(C=C1)SC(=O)CC(=O)SC2=CC=C(C=C2)C
Structure:
CAS RN: 24455-28-5
CAS Name: bis[(4-methylphenyl)thio]methanethione
OPENEYE Name: bis(p-tolylsulfanyl)methanethione
IUPAC Name: bis[(4-methylphenyl)sulfanyl]methanethione
SYSTEMATIC NAME: bis[(4-methylphenyl)sulfanyl]methanethione
MOLECULAR FORMULA: C15H14S3
MOLECULAR WEIGHT: 290.46666
SMILES: CC1=CC=C(C=C1)SC(=S)SC2=CC=C(C=C2)C
Structure:
CAS RN: 581-71-5
CAS Name: 3-hydroxy-2-naphthalenecarboxaldehyde
OPENEYE Name: 3-hydroxynaphthalene-2-carbaldehyde
IUPAC Name: 3-hydroxynaphthalene-2-carbaldehyde
SYSTEMATIC NAME: 3-oxidanylnaphthalene-2-carbaldehyde
MOLECULAR FORMULA: C11H8O2
MOLECULAR WEIGHT: 172.18002
SMILES: C1=CC=C2C=C(C(=CC2=C1)C=O)O
Structure:
CAS RN: 91719-24-3
CAS Name: 6-chloro-9-[3-(6-chloro-9-purinyl)propyl]purine
OPENEYE Name: 6-chloro-9-[3-(6-chloropurin-9-yl)propyl]purine
IUPAC Name: 6-chloro-9-[3-(6-chloropurin-9-yl)propyl]purine
SYSTEMATIC NAME: 6-chloranyl-9-[3-(6-chloranylpurin-9-yl)propyl]purine
MOLECULAR FORMULA: C13H10Cl2N8
MOLECULAR WEIGHT: 349.1781
SMILES: C1=NC2=C(C(=N1)Cl)N=CN2CCCN3C=NC4=C3N=CN=C4Cl
Structure:
CAS RN: 93002-45-0
CAS Name: N-methyl-N-[[6-methyl-4-oxo-2-(1-piperidinyl)-1H-pyrimidin-5-yl]methyl]nitrous amide
OPENEYE Name: N-methyl-N-[[6-methyl-4-oxo-2-(1-piperidyl)-1H-pyrimidin-5-yl]methyl]nitrous amide
IUPAC Name: N-methyl-N-[(6-methyl-4-oxo-2-piperidin-1-yl-1H-pyrimidin-5-yl)methyl]nitrous amide
SYSTEMATIC NAME: N-methyl-N-[(6-methyl-4-oxidanylidene-2-piperidin-1-yl-1H-pyrimidin-5-yl)methyl]nitrous amide
MOLECULAR FORMULA: C12H19N5O2
MOLECULAR WEIGHT: 265.31156
SMILES: CC1=C(C(=O)N=C(N1)N2CCCCC2)CN(C)N=O
Structure:
CAS RN: 92765-22-5
CAS Name: 2,3,6-trimethyl-8-imidazo[1,5-b][1,2,4]triazinecarboxamide
OPENEYE Name: 2,3,6-trimethylimidazo[1,5-b][1,2,4]triazine-8-carboxamide
IUPAC Name: 2,3,6-trimethylimidazo[1,5-b][1,2,4]triazine-8-carboxamide
SYSTEMATIC NAME: 2,3,6-trimethylimidazo[1,5-b][1,2,4]triazine-8-carboxamide
MOLECULAR FORMULA: C9H11N5O
MOLECULAR WEIGHT: 205.21654
SMILES: CC1=NC2=C(N=C(N2N=C1C)C)C(=O)N
Structure:
CAS RN: 388-45-4
CAS Name: 5-fluoro-7,9-dimethylbenzo[c]acridine
OPENEYE Name: 5-fluoro-7,9-dimethyl-benzo[c]acridine
IUPAC Name: 5-fluoro-7,9-dimethylbenzo[c]acridine
SYSTEMATIC NAME: 5-fluoranyl-7,9-dimethyl-benzo[c]acridine
MOLECULAR FORMULA: C19H14FN
MOLECULAR WEIGHT: 275.319563
SMILES: CC1=CC2=C(C3=C(C4=CC=CC=C4C(=C3)F)N=C2C=C1)C
Structure:
CAS RN: 10307-62-7
CAS Name: 2-[4-(2-phenylethenyl)phenyl]benzo[e]benzotriazole
OPENEYE Name: 2-(4-styrylphenyl)benzo[e]benzotriazole
IUPAC Name: 2-[4-(2-phenylethenyl)phenyl]benzo[e]benzotriazole
SYSTEMATIC NAME: 2-[4-(2-phenylethenyl)phenyl]benzo[e]benzotriazole
MOLECULAR FORMULA: C24H17N3
MOLECULAR WEIGHT: 347.41188
SMILES: C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N3N=C4C=CC5=CC=CC=C5C4=N3
Structure:
CAS RN: 42207-71-6
CAS Name: 2-phenyl-1H-benzo[f]indole-4,9-dione
OPENEYE Name: 2-phenyl-1H-benzo[f]indole-4,9-dione
IUPAC Name: 2-phenyl-1H-benzo[f]indole-4,9-dione
SYSTEMATIC NAME: 2-phenyl-1H-benzo[f]indole-4,9-dione
MOLECULAR FORMULA: C18H11NO2
MOLECULAR WEIGHT: 273.28544
SMILES: C1=CC=C(C=C1)C2=CC3=C(N2)C(=O)C4=CC=CC=C4C3=O
Structure:
CAS RN: 56908-66-8
CAS Name: 2-amino-3-(phenylthio)naphthalene-1,4-dione
OPENEYE Name: 2-amino-3-phenylsulfanyl-naphthalene-1,4-dione
IUPAC Name: 2-amino-3-phenylsulfanylnaphthalene-1,4-dione
SYSTEMATIC NAME: 2-azanyl-3-phenylsulfanyl-naphthalene-1,4-dione
MOLECULAR FORMULA: C16H11NO2S
MOLECULAR WEIGHT: 281.32904
SMILES: C1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)N
Structure:
CAS RN: 38589-34-3
CAS Name: 3,6-bis(4-methoxyphenyl)furo[3,2-b]furan-2,5-dione
OPENEYE Name: 3,6-bis(4-methoxyphenyl)furo[3,2-b]furan-2,5-dione
IUPAC Name: 3,6-bis(4-methoxyphenyl)furo[3,2-b]furan-2,5-dione
SYSTEMATIC NAME: 3,6-bis(4-methoxyphenyl)furo[3,2-b]furan-2,5-dione
MOLECULAR FORMULA: C20H14O6
MOLECULAR WEIGHT: 350.32156
SMILES: COC1=CC=C(C=C1)C2=C3C(=C(C(=O)O3)C4=CC=C(C=C4)OC)OC2=O
Structure:
CAS RN: 42164-68-1
CAS Name: 4-prop-2-enoxynaphthalene-1,2-dione
OPENEYE Name: 4-allyloxynaphthalene-1,2-dione
IUPAC Name: 4-prop-2-enoxynaphthalene-1,2-dione
SYSTEMATIC NAME: 4-prop-2-enoxynaphthalene-1,2-dione
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C=CCOC1=CC(=O)C(=O)C2=CC=CC=C21
Structure:
CAS RN: 40861-57-2
CAS Name: 4-oxo-1-trimethylsilyloxy-1-cyclohexa-2,5-dienecarbonitrile
OPENEYE Name: 4-oxo-1-trimethylsilyloxy-cyclohexa-2,5-diene-1-carbonitrile
IUPAC Name: 4-oxo-1-trimethylsilyloxycyclohexa-2,5-diene-1-carbonitrile
SYSTEMATIC NAME: 4-oxidanylidene-1-trimethylsilyloxy-cyclohexa-2,5-diene-1-carbonitrile
MOLECULAR FORMULA: C10H13NO2Si
MOLECULAR WEIGHT: 207.30122
SMILES: C[Si](C)(C)OC1(C=CC(=O)C=C1)C#N
Structure:
CAS RN: 37780-09-9
CAS Name: 4,6-ditert-butyl-3-chlorocyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4,6-ditert-butyl-3-chloro-1,2-benzoquinone
IUPAC Name: 4,6-ditert-butyl-3-chlorocyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4,6-ditert-butyl-3-chloranyl-cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C14H19ClO2
MOLECULAR WEIGHT: 254.75246
SMILES: CC(C)(C)C1=CC(=C(C(=O)C1=O)Cl)C(C)(C)C
Structure:
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