CAS RN: 22429-12-5
CAS Name: 1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine
OPENEYE Name: 1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine
IUPAC Name: 1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine
SYSTEMATIC NAME: 1,3-dimethyl-2-phenyl-1,3,2-diazaphospholidine
MOLECULAR FORMULA: C10H15N2P
MOLECULAR WEIGHT: 194.213261
SMILES: CN1CCN(P1C2=CC=CC=C2)C
Structure:
CAS RN: 14274-43-2
CAS Name: 2-ethoxy-4-methyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholane
OPENEYE Name: 2-ethoxy-4-methyl-2-thioxo-1,3,2$l^{5}-dioxaphospholane
IUPAC Name: 2-ethoxy-4-methyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholane
SYSTEMATIC NAME: 2-ethoxy-4-methyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholane
MOLECULAR FORMULA: C5H11O3PS
MOLECULAR WEIGHT: 182.177801
SMILES: CCOP1(=S)OCC(O1)C
Structure:
CAS RN: 7114-59-2
CAS Name: N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholan-2-amine
OPENEYE Name: N,N-diethyl-4-methyl-2-thioxo-1,3,2$l^{5}-dioxaphospholan-2-amine
IUPAC Name: N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholan-2-amine
SYSTEMATIC NAME: N,N-diethyl-4-methyl-2-sulfanylidene-1,3,2$l^{5}-dioxaphospholan-2-amine
MOLECULAR FORMULA: C7H16NO2PS
MOLECULAR WEIGHT: 209.246201
SMILES: CCN(CC)P1(=S)OCC(O1)C
Structure:
CAS RN: 71628-96-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H31NO10
MOLECULAR WEIGHT: 541.54644
SMILES: C[C@@]1(C[C@@H](C2=C(C1)C=C3C(=C2O)C(=O)C4=C(C=C5C(=C4C3=O)OC6[C@H]([C@@H]([C@H](C5(O6)C)O)N(C)C)O)O)OC)O
Structure:
CAS RN: 2270-41-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H22O5
MOLECULAR WEIGHT: 282.33218
SMILES: CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H]([C@H]([C@H]([C@]34CO4)O2)O)O)C)CO
Structure:
CAS RN: 73851-47-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H15N7O4
MOLECULAR WEIGHT: 333.3027
SMILES: C1=NC2=C(C3=C(N2C4C(C(C(O4)CO)O)O)N=CN=C3N)C(=N1)N
Structure:
CAS RN: 78586-37-5
CAS Name: acetic acid [3,4-dihydroxy-5-[4-[(phenylmethyl)amino]-1-pyrazolo[3,4-d]pyrimidinyl]-2-oxolanyl]methyl ester
OPENEYE Name: [5-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl acetate
IUPAC Name: [5-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4-bis(oxidanyl)-5-[4-[(phenylmethyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]oxolan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C19H21N5O5
MOLECULAR WEIGHT: 399.40054
SMILES: CC(=O)OCC1C(C(C(O1)N2C3=C(C=N2)C(=NC=N3)NCC4=CC=CC=C4)O)O
Structure:
CAS RN: 64372-71-0
CAS Name: 2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylthio]-1-pyrazolo[3,4-d]pyrimidinyl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C17H17N5O6S
MOLECULAR WEIGHT: 419.41178
SMILES: C1=CC(=CC=C1CSC2=NC=NC3=C2C=NN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]
Structure:
CAS RN: 78586-36-4
CAS Name: 2-(hydroxymethyl)-5-[4-[(phenylmethyl)amino]-1-pyrazolo[3,4-d]pyrimidinyl]oxolane-3,4-diol
OPENEYE Name: 2-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[4-(benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[4-[(phenylmethyl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C17H19N5O4
MOLECULAR WEIGHT: 357.36386
SMILES: C1=CC=C(C=C1)CNC2=NC=NC3=C2C=NN3C4C(C(C(O4)CO)O)O
Structure:
CAS RN: 64178-58-1
CAS Name: 5-chloro-6-hydroxy-1H-pyridazin-4-one
OPENEYE Name: 5-chloro-6-hydroxy-1H-pyridazin-4-one
IUPAC Name: 5-chloro-6-hydroxy-1H-pyridazin-4-one
SYSTEMATIC NAME: 5-chloranyl-6-oxidanyl-1H-pyridazin-4-one
MOLECULAR FORMULA: C4H3ClN2O2
MOLECULAR WEIGHT: 146.53182
SMILES: C1=NNC(=C(C1=O)Cl)O
Structure:
CAS RN: 17285-36-8
CAS Name: 3,4-dichloro-1H-pyridazin-6-one
OPENEYE Name: 3,4-dichloro-1H-pyridazin-6-one
IUPAC Name: 3,4-dichloro-1H-pyridazin-6-one
SYSTEMATIC NAME: 3,4-bis(chloranyl)-1H-pyridazin-6-one
MOLECULAR FORMULA: C4H2Cl2N2O
MOLECULAR WEIGHT: 164.97748
SMILES: C1=C(C(=NNC1=O)Cl)Cl
Structure:
CAS RN: 5216-87-5
CAS Name: 2-ethoxy-6-(hexadecylthio)-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methyl-1,4-benzoquinone
IUPAC Name: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C26H44O4S
MOLECULAR WEIGHT: 452.69016
SMILES: CCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OCC)OC)C
Structure:
CAS RN: 71376-41-5
CAS Name: 2-ethoxy-6-(hexadecylthio)-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methyl-1,4-benzoquinone
IUPAC Name: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C26H44O4S
MOLECULAR WEIGHT: 452.69016
SMILES: CCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OCC)OC)C
Structure:
CAS RN: 59895-54-4
CAS Name: 2,4-ditert-butyl-6-(3-phenylprop-2-enyl)phenol
OPENEYE Name: 2,4-ditert-butyl-6-cinnamyl-phenol
IUPAC Name: 2,4-ditert-butyl-6-(3-phenylprop-2-enyl)phenol
SYSTEMATIC NAME: 2,4-ditert-butyl-6-(3-phenylprop-2-enyl)phenol
MOLECULAR FORMULA: C23H30O
MOLECULAR WEIGHT: 322.4837
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC=CC2=CC=CC=C2
Structure:
CAS RN: 71712-07-7
CAS Name: 5-methoxy-6-[(4-methoxyphenyl)methyl]-1,3-benzodioxole
OPENEYE Name: 5-methoxy-6-[(4-methoxyphenyl)methyl]-1,3-benzodioxole
IUPAC Name: 5-methoxy-6-[(4-methoxyphenyl)methyl]-1,3-benzodioxole
SYSTEMATIC NAME: 5-methoxy-6-[(4-methoxyphenyl)methyl]-1,3-benzodioxole
MOLECULAR FORMULA: C16H16O4
MOLECULAR WEIGHT: 272.29584
SMILES: COC1=CC=C(C=C1)CC2=CC3=C(C=C2OC)OCO3
Structure:
CAS RN: 63194-78-5
CAS Name: 6-[(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol
OPENEYE Name: 6-[(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol
IUPAC Name: 6-[(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol
SYSTEMATIC NAME: 6-[(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-ol
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: COC1=CC=C(C=C1)CC2=CC3=C(C=C2O)OCO3
Structure:
CAS RN: 72590-26-2
CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-1,4-benzoquinone
IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C15H12O5
MOLECULAR WEIGHT: 272.25278
SMILES: COC1=CC(=O)C(=CC1=O)CC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 72590-24-0
CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxybenzene-1,4-diol
OPENEYE Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-benzene-1,4-diol
IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxybenzene-1,4-diol
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-benzene-1,4-diol
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COC1=C(C=C(C(=C1)O)CC2=CC3=C(C=C2)OCO3)O
Structure:
CAS RN: 66092-34-0
CAS Name: 2-methoxy-5-[(4-methoxyphenyl)methyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-methoxy-5-[(4-methoxyphenyl)methyl]-1,4-benzoquinone
IUPAC Name: 2-methoxy-5-[(4-methoxyphenyl)methyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-methoxy-5-[(4-methoxyphenyl)methyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: COC1=CC=C(C=C1)CC2=CC(=O)C(=CC2=O)OC
Structure:
CAS RN: 72590-07-9
CAS Name: 2-methoxy-5-[(4-methoxyphenyl)methyl]benzene-1,4-diol
OPENEYE Name: 2-methoxy-5-[(4-methoxyphenyl)methyl]benzene-1,4-diol
IUPAC Name: 2-methoxy-5-[(4-methoxyphenyl)methyl]benzene-1,4-diol
SYSTEMATIC NAME: 2-methoxy-5-[(4-methoxyphenyl)methyl]benzene-1,4-diol
MOLECULAR FORMULA: C15H16O4
MOLECULAR WEIGHT: 260.28514
SMILES: COC1=CC=C(C=C1)CC2=CC(=C(C=C2O)OC)O
Structure:
CAS RN: 21148-33-4
CAS Name: 2,4-dimethoxy-5-(3-phenylprop-2-enyl)phenol
OPENEYE Name: 5-cinnamyl-2,4-dimethoxy-phenol
IUPAC Name: 2,4-dimethoxy-5-(3-phenylprop-2-enyl)phenol
SYSTEMATIC NAME: 2,4-dimethoxy-5-(3-phenylprop-2-enyl)phenol
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: COC1=CC(=C(C=C1CC=CC2=CC=CC=C2)O)OC
Structure:
CAS RN: 19034-96-9
CAS Name: 2,5-dimethoxy-4-(3-phenylprop-2-enyl)phenol
OPENEYE Name: 4-cinnamyl-2,5-dimethoxy-phenol
IUPAC Name: 2,5-dimethoxy-4-(3-phenylprop-2-enyl)phenol
SYSTEMATIC NAME: 2,5-dimethoxy-4-(3-phenylprop-2-enyl)phenol
MOLECULAR FORMULA: C17H18O3
MOLECULAR WEIGHT: 270.32302
SMILES: COC1=CC(=C(C=C1CC=CC2=CC=CC=C2)OC)O
Structure:
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