CAS RN: 84605-04-9
CAS Name: 2-(2-hydroxyethylthio)naphthalene-1,4-dione
OPENEYE Name: 2-(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
IUPAC Name: 2-(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2-(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C12H10O3S
MOLECULAR WEIGHT: 234.271
SMILES: C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCO
Structure:
CAS RN: 60288-22-4
CAS Name: 2-[(2,5-dimethylphenyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(2,5-dimethylbenzoyl)benzoic acid
IUPAC Name: 2-(2,5-dimethylbenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(2,5-dimethylphenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C16H14O3
MOLECULAR WEIGHT: 254.28056
SMILES: CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 58420-63-6
CAS Name: N-phenylbenzohydrazide
OPENEYE Name: N-phenylbenzohydrazide
IUPAC Name: N-phenylbenzohydrazide
SYSTEMATIC NAME: N-phenylbenzohydrazide
MOLECULAR FORMULA: C13H12N2O
MOLECULAR WEIGHT: 212.24718
SMILES: C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)N
Structure:
CAS RN: 2486-69-3
CAS Name: 4-amino-3-methoxybenzoic acid
OPENEYE Name: 4-amino-3-methoxy-benzoic acid
IUPAC Name: 4-amino-3-methoxybenzoic acid
SYSTEMATIC NAME: 4-azanyl-3-methoxy-benzoic acid
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: COC1=C(C=CC(=C1)C(=O)O)N
Structure:
CAS RN: 18413-39-3
CAS Name: (2-amino-5-chlorophenyl)-(2-pyridinyl)methanone
OPENEYE Name: (2-amino-5-chloro-phenyl)-(2-pyridyl)methanone
IUPAC Name: (2-amino-5-chlorophenyl)-pyridin-2-ylmethanone
SYSTEMATIC NAME: (2-azanyl-5-chloranyl-phenyl)-pyridin-2-yl-methanone
MOLECULAR FORMULA: C12H9ClN2O
MOLECULAR WEIGHT: 232.66566
SMILES: C1=CC=NC(=C1)C(=O)C2=C(C=CC(=C2)Cl)N
Structure:
CAS RN: 5190-53-4
CAS Name: carbamic acid [4-(2,4-dioxo-1-pyrimidinyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester
OPENEYE Name: [4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
IUPAC Name: [4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
SYSTEMATIC NAME: [4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
MOLECULAR FORMULA: C13H17N3O7
MOLECULAR WEIGHT: 327.28998
SMILES: CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)COC(=O)N)C
Structure:
CAS RN: 41509-93-7
CAS Name: carbamic acid [4-(2,4-dioxo-1-pyrimidinyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester
OPENEYE Name: [4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
IUPAC Name: [4-(2,4-dioxopyrimidin-1-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
SYSTEMATIC NAME: [4-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl carbamate
MOLECULAR FORMULA: C13H17N3O7
MOLECULAR WEIGHT: 327.28998
SMILES: CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)COC(=O)N)C
Structure:
CAS RN: 16525-39-6
CAS Name: 2-methylhexanedinitrile
OPENEYE Name: 2-methylhexanedinitrile
IUPAC Name: 2-methylhexanedinitrile
SYSTEMATIC NAME: 2-methylhexanedinitrile
MOLECULAR FORMULA: C7H10N2
MOLECULAR WEIGHT: 122.1677
SMILES: CC(CCCC#N)C#N
Structure:
CAS RN: 20532-28-9
CAS Name: 1-benzothiophen-5-amine
OPENEYE Name: benzothiophen-5-amine
IUPAC Name: 1-benzothiophen-5-amine
SYSTEMATIC NAME: 1-benzothiophen-5-amine
MOLECULAR FORMULA: C8H7NS
MOLECULAR WEIGHT: 149.21288
SMILES: C1=CC2=C(C=CS2)C=C1N
Structure:
CAS RN: 51920-95-7
CAS Name: 1-(prop-2-enylthio)naphthalene
OPENEYE Name: 1-allylsulfanylnaphthalene
IUPAC Name: 1-prop-2-enylsulfanylnaphthalene
SYSTEMATIC NAME: 1-prop-2-enylsulfanylnaphthalene
MOLECULAR FORMULA: C13H12S
MOLECULAR WEIGHT: 200.29938
SMILES: C=CCSC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 7400-14-8
CAS Name: (2-methylphenyl)methanethiol
OPENEYE Name: o-tolylmethanethiol
IUPAC Name: (2-methylphenyl)methanethiol
SYSTEMATIC NAME: (2-methylphenyl)methanethiol
MOLECULAR FORMULA: C8H10S
MOLECULAR WEIGHT: 138.23
SMILES: CC1=CC=CC=C1CS
Structure:
CAS RN: 4494-26-2
CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinecarboxaldehyde
OPENEYE Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidine-5-carbaldehyde
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbaldehyde
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidine-5-carbaldehyde
MOLECULAR FORMULA: C10H12N2O6
MOLECULAR WEIGHT: 256.21208
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C=O)CO)O
Structure:
CAS RN: 13156-04-2
CAS Name: 1-tert-butyl-3-azetidinol
OPENEYE Name: 1-tert-butylazetidin-3-ol
IUPAC Name: 1-tert-butylazetidin-3-ol
SYSTEMATIC NAME: 1-tert-butylazetidin-3-ol
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: CC(C)(C)N1CC(C1)O
Structure:
CAS RN: 61702-60-1
CAS Name: 2-methyl-1,3-di(propan-2-yl)aziridine
OPENEYE Name: 1,2-diisopropyl-3-methyl-aziridine
IUPAC Name: 2-methyl-1,3-di(propan-2-yl)aziridine
SYSTEMATIC NAME: 2-methyl-1,3-di(propan-2-yl)aziridine
MOLECULAR FORMULA: C9H19N
MOLECULAR WEIGHT: 141.25386
SMILES: CC1C(N1C(C)C)C(C)C
Structure:
CAS RN: 4643-05-4
CAS Name: (E)-3-chloro-2-propen-1-ol
OPENEYE Name: (E)-3-chloroprop-2-en-1-ol
IUPAC Name: (E)-3-chloroprop-2-en-1-ol
SYSTEMATIC NAME: (E)-3-chloranylprop-2-en-1-ol
MOLECULAR FORMULA: C3H5ClO
MOLECULAR WEIGHT: 92.5242
SMILES: C(/C=C/Cl)O
Structure:
CAS RN: 27067-40-9
CAS Name: 2-ethenyl-2-methyl-1,3-dioxolane
OPENEYE Name: 2-methyl-2-vinyl-1,3-dioxolane
IUPAC Name: 2-ethenyl-2-methyl-1,3-dioxolane
SYSTEMATIC NAME: 2-ethenyl-2-methyl-1,3-dioxolane
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: CC1(OCCO1)C=C
Structure:
CAS RN: 58171-11-2
CAS Name: 3-(2-chloroprop-2-enylthio)-1-propanethiol
OPENEYE Name: 3-(2-chloroallylsulfanyl)propane-1-thiol
IUPAC Name: 3-(2-chloroprop-2-enylsulfanyl)propane-1-thiol
SYSTEMATIC NAME: 3-(2-chloranylprop-2-enylsulfanyl)propane-1-thiol
MOLECULAR FORMULA: C6H11ClS2
MOLECULAR WEIGHT: 182.73454
SMILES: C=C(CSCCCS)Cl
Structure:
CAS RN: 18269-02-8
CAS Name: 2-hydroxy-N-[(phenylmethylene)amino]benzamide
OPENEYE Name: N-(benzylideneamino)-2-hydroxy-benzamide
IUPAC Name: N-(benzylideneamino)-2-hydroxybenzamide
SYSTEMATIC NAME: 2-oxidanyl-N-[(phenylmethylidene)amino]benzamide
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2O
Structure:
CAS RN: 1792-88-7
CAS Name: 2,4-dimethyl-3H-1,5-benzodiazepine
OPENEYE Name: 2,4-dimethyl-3H-1,5-benzodiazepine
IUPAC Name: 2,4-dimethyl-3H-1,5-benzodiazepine
SYSTEMATIC NAME: 2,4-dimethyl-3H-1,5-benzodiazepine
MOLECULAR FORMULA: C11H12N2
MOLECULAR WEIGHT: 172.22638
SMILES: CC1=NC2=CC=CC=C2N=C(C1)C
Structure:
CAS RN: 9014-83-9
CAS Name: 1-(4-morpholinylmethyl)pyrrole-2,5-dione
OPENEYE Name: 1-(morpholinomethyl)pyrrole-2,5-dione
IUPAC Name: 1-(morpholin-4-ylmethyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(morpholin-4-ylmethyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C9H12N2O3
MOLECULAR WEIGHT: 196.20318
SMILES: C1COCCN1CN2C(=O)C=CC2=O
Structure:
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