CAS RN: 16491-65-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H36N2O3
MOLECULAR WEIGHT: 472.61844
SMILES: C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C
Structure:
CAS RN: 113348-25-7
CAS Name: 6-hydrazinyl-N2,N4-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-hydrazino-N2,N4-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-hydrazinyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-diazanyl-N2,N4-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C5H11N7
MOLECULAR WEIGHT: 169.18774
SMILES: CNC1=NC(=NC(=N1)NN)NC
Structure:
CAS RN: 22318-10-1
CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-(1-aziridinyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [(3S,8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [(3S,8S,9S,10R,13S,14S,16R,17R)-17-acetyl-16-(aziridin-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13S,14S,16R,17R)-16-(aziridin-1-yl)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C25H37NO3
MOLECULAR WEIGHT: 399.56618
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)N5CC5
Structure:
CAS RN: 13143-98-1
CAS Name: N-(4,5-dihydroxy-6-methoxy-3-oxanyl)acetamide
OPENEYE Name: N-(4,5-dihydroxy-6-methoxy-tetrahydropyran-3-yl)acetamide
IUPAC Name: N-(4,5-dihydroxy-6-methoxyoxan-3-yl)acetamide
SYSTEMATIC NAME: N-[6-methoxy-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C8H15NO5
MOLECULAR WEIGHT: 205.2084
SMILES: CC(=O)NC1COC(C(C1O)O)OC
Structure:
CAS RN: 30379-58-9
CAS Name: N2,N2-dimethylpyrimidine-2,4,5-triamine; sulfuric acid
OPENEYE Name: N2,N2-dimethylpyrimidine-2,4,5-triamine; sulfuric acid
IUPAC Name: 2-N,2-N-dimethylpyrimidine-2,4,5-triamine; sulfuric acid
SYSTEMATIC NAME: N2,N2-dimethylpyrimidine-2,4,5-triamine; sulfuric acid
MOLECULAR FORMULA: C6H13N5O4S
MOLECULAR WEIGHT: 251.26352
SMILES: CN(C)C1=NC=C(C(=N1)N)N.OS(=O)(=O)O
Structure:
CAS RN: 161894-21-9
CAS Name: 1-(2-thiazolyl)pyrrole-2,5-dione
OPENEYE Name: 1-thiazol-2-ylpyrrole-2,5-dione
IUPAC Name: 1-(1,3-thiazol-2-yl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(1,3-thiazol-2-yl)pyrrole-2,5-dione
MOLECULAR FORMULA: C7H4N2O2S
MOLECULAR WEIGHT: 180.18386
SMILES: C1=CC(=O)N(C1=O)C2=NC=CS2
Structure:
CAS RN: 7399-79-3
CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-prop-2-enylpyrimidine-2,4-dione
OPENEYE Name: 5-allyl-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-prop-2-enyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H16N2O5
MOLECULAR WEIGHT: 268.26584
SMILES: C=CCC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Structure:
CAS RN: 73-39-2
CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-prop-2-enylpyrimidine-2,4-dione
OPENEYE Name: 5-allyl-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-2-enylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-prop-2-enyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C12H16N2O5
MOLECULAR WEIGHT: 268.26584
SMILES: C=CCC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Structure:
CAS RN: 40816-86-2
CAS Name: acetic acid 1-diethoxyphosphorylbutyl ester
OPENEYE Name: 1-diethoxyphosphorylbutyl acetate
IUPAC Name: 1-diethoxyphosphorylbutyl acetate
SYSTEMATIC NAME: 1-diethoxyphosphorylbutyl ethanoate
MOLECULAR FORMULA: C10H21O5P
MOLECULAR WEIGHT: 252.244501
SMILES: CCCC(OC(=O)C)P(=O)(OCC)OCC
Structure:
CAS RN: 18283-41-5
CAS Name: 2-cyano-4-methylpentanoic acid
OPENEYE Name: 2-cyano-4-methyl-pentanoic acid
IUPAC Name: 2-cyano-4-methylpentanoic acid
SYSTEMATIC NAME: 2-cyano-4-methyl-pentanoic acid
MOLECULAR FORMULA: C7H11NO2
MOLECULAR WEIGHT: 141.16774
SMILES: CC(C)CC(C#N)C(=O)O
Structure:
CAS RN: 7473-45-2
CAS Name: 2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-methoxy-tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-methoxy-oxolane-3,4-diol
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: COC1C(C(C(O1)CO)O)O
Structure:
CAS RN: 56607-40-0
CAS Name: 2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-methoxy-tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-methoxy-oxolane-3,4-diol
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: COC1C(C(C(O1)CO)O)O
Structure:
CAS RN: 4253-24-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12O9
MOLECULAR WEIGHT: 288.123
SMILES: C12=C(C3=C(C4=C1C(=O)OC4=O)C(=O)OC3=O)C(=O)OC2=O
Structure:
CAS RN: 28027-18-1
CAS Name: 8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
OPENEYE Name: 8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
IUPAC Name: 8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 8-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: COC1=CC=CC2=C1NC=C(C2=O)C(=O)O
Structure:
CAS RN: 28027-16-9
CAS Name: 6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
OPENEYE Name: 6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
IUPAC Name: 6-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
SYSTEMATIC NAME: 6-methoxy-4-oxidanylidene-1H-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C11H9NO4
MOLECULAR WEIGHT: 219.19346
SMILES: COC1=CC2=C(C=C1)NC=C(C2=O)C(=O)O
Structure:
CAS RN: 4596-39-8
CAS Name: 1-(3-bromopropyl)-2-methoxybenzene
OPENEYE Name: 1-(3-bromopropyl)-2-methoxy-benzene
IUPAC Name: 1-(3-bromopropyl)-2-methoxybenzene
SYSTEMATIC NAME: 1-(3-bromanylpropyl)-2-methoxy-benzene
MOLECULAR FORMULA: C10H13BrO
MOLECULAR WEIGHT: 229.11362
SMILES: COC1=CC=CC=C1CCCBr
Structure:
CAS RN: 6311-20-2
CAS Name: [(1S,2R)-2-isocyanatocyclopropyl]benzene
OPENEYE Name: [(1S,2R)-2-isocyanatocyclopropyl]benzene
IUPAC Name: [(1S,2R)-2-isocyanatocyclopropyl]benzene
SYSTEMATIC NAME: [(1S,2R)-2-isocyanatocyclopropyl]benzene
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: C1[C@H]([C@@H]1N=C=O)C2=CC=CC=C2
Structure:
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