CAS RN: 65176-88-7
CAS Name: 7,8-dimethyl-5-(2,3,4,5-tetrahydroxypentyl)benzo[b][1,6]naphthyridine-1,3-dione
OPENEYE Name: 7,8-dimethyl-5-(2,3,4,5-tetrahydroxypentyl)benzo[b][1,6]naphthyridine-1,3-dione
IUPAC Name: 7,8-dimethyl-5-(2,3,4,5-tetrahydroxypentyl)benzo[b][1,6]naphthyridine-1,3-dione
SYSTEMATIC NAME: 7,8-dimethyl-5-[2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[b][1,6]naphthyridine-1,3-dione
MOLECULAR FORMULA: C19H22N2O6
MOLECULAR WEIGHT: 374.38778
SMILES: CC1=C(C=C2C(=C1)C=C3C(=CC(=O)NC3=O)N2CC(C(C(CO)O)O)O)C
Structure:
CAS RN: 53844-19-2
CAS Name: 7-methoxy-1,3-diphenyl-1H-2-benzothiopyran
OPENEYE Name: 7-methoxy-1,3-diphenyl-1H-isothiochromene
IUPAC Name: 7-methoxy-1,3-diphenyl-1H-isothiochromene
SYSTEMATIC NAME: 7-methoxy-1,3-diphenyl-1H-isothiochromene
MOLECULAR FORMULA: C22H18OS
MOLECULAR WEIGHT: 330.44272
SMILES: COC1=CC2=C(C=C1)C=C(SC2C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 23906-21-0
CAS Name: 2-acetamido-2-[(5-chloro-1-benzothiophen-3-yl)methyl]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-acetamido-2-[(5-chlorobenzothiophen-3-yl)methyl]propanedioate
IUPAC Name: diethyl 2-acetamido-2-[(5-chloro-1-benzothiophen-3-yl)methyl]propanedioate
SYSTEMATIC NAME: diethyl 2-acetamido-2-[(5-chloranyl-1-benzothiophen-3-yl)methyl]propanedioate
MOLECULAR FORMULA: C18H20ClNO5S
MOLECULAR WEIGHT: 397.8731
SMILES: CCOC(=O)C(CC1=CSC2=C1C=C(C=C2)Cl)(C(=O)OCC)NC(=O)C
Structure:
CAS RN: 25784-83-2
CAS Name: 1-[(4-chlorophenyl)thio]-2-propanone
OPENEYE Name: 1-(4-chlorophenyl)sulfanylpropan-2-one
IUPAC Name: 1-(4-chlorophenyl)sulfanylpropan-2-one
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfanylpropan-2-one
MOLECULAR FORMULA: C9H9ClOS
MOLECULAR WEIGHT: 200.68516
SMILES: CC(=O)CSC1=CC=C(C=C1)Cl
Structure:
CAS RN: 10087-36-2
CAS Name: 1-(4-hydroxyphenyl)propane-1,2-dione
OPENEYE Name: 1-(4-hydroxyphenyl)propane-1,2-dione
IUPAC Name: 1-(4-hydroxyphenyl)propane-1,2-dione
SYSTEMATIC NAME: 1-(4-hydroxyphenyl)propane-1,2-dione
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: CC(=O)C(=O)C1=CC=C(C=C1)O
Structure:
CAS RN: 6890-77-3
CAS Name: 2-(3-nitrophenyl)-2-oxoacetaldehyde
OPENEYE Name: 2-(3-nitrophenyl)-2-oxo-acetaldehyde
IUPAC Name: 2-(3-nitrophenyl)-2-oxoacetaldehyde
SYSTEMATIC NAME: 2-(3-nitrophenyl)-2-oxidanylidene-ethanal
MOLECULAR FORMULA: C8H5NO4
MOLECULAR WEIGHT: 179.1296
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C=O
Structure:
CAS RN: 16267-10-0
CAS Name: N-(4-oxaldehydoylphenyl)acetamide
OPENEYE Name: N-(4-oxaldehydoylphenyl)acetamide
IUPAC Name: N-(4-oxaldehydoylphenyl)acetamide
SYSTEMATIC NAME: N-(4-oxaldehydoylphenyl)ethanamide
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)C=O
Structure:
CAS RN: 67014-06-6
CAS Name: N-(4-oxaldehydoylphenyl)acetamide
OPENEYE Name: N-(4-oxaldehydoylphenyl)acetamide
IUPAC Name: N-(4-oxaldehydoylphenyl)acetamide
SYSTEMATIC NAME: N-(4-oxaldehydoylphenyl)ethanamide
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)C=O
Structure:
CAS RN: 63514-63-6
CAS Name: N-[4-(2-bromo-1-oxopropyl)phenyl]acetamide
OPENEYE Name: N-[4-(2-bromopropanoyl)phenyl]acetamide
IUPAC Name: N-[4-(2-bromopropanoyl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(2-bromanylpropanoyl)phenyl]ethanamide
MOLECULAR FORMULA: C11H12BrNO2
MOLECULAR WEIGHT: 270.12248
SMILES: CC(C(=O)C1=CC=C(C=C1)NC(=O)C)Br
Structure:
CAS RN: 80336-78-3
CAS Name: N-[4-(2-bromo-1-oxopropyl)phenyl]propanamide
OPENEYE Name: N-[4-(2-bromopropanoyl)phenyl]propanamide
IUPAC Name: N-[4-(2-bromopropanoyl)phenyl]propanamide
SYSTEMATIC NAME: N-[4-(2-bromanylpropanoyl)phenyl]propanamide
MOLECULAR FORMULA: C12H14BrNO2
MOLECULAR WEIGHT: 284.14906
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)C(C)Br
Structure:
CAS RN: 64183-27-3
CAS Name: 5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-(6-aminopurin-9-yl)-4-fluoranyl-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C10H12FN5O3
MOLECULAR WEIGHT: 269.232383
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)F
Structure:
CAS RN: 25844-65-9
CAS Name: 5-(3,4-dimethoxyphenyl)-4-pyrimidinamine
OPENEYE Name: 5-(3,4-dimethoxyphenyl)pyrimidin-4-amine
IUPAC Name: 5-(3,4-dimethoxyphenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 5-(3,4-dimethoxyphenyl)pyrimidin-4-amine
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: COC1=C(C=C(C=C1)C2=CN=CN=C2N)OC
Structure:
CAS RN: 5000-31-7
CAS Name: 5-(2-naphthalenyl)-4-pyrimidinamine
OPENEYE Name: 5-(2-naphthyl)pyrimidin-4-amine
IUPAC Name: 5-naphthalen-2-ylpyrimidin-4-amine
SYSTEMATIC NAME: 5-naphthalen-2-ylpyrimidin-4-amine
MOLECULAR FORMULA: C14H11N3
MOLECULAR WEIGHT: 221.25724
SMILES: C1=CC=C2C=C(C=CC2=C1)C3=CN=CN=C3N
Structure:
CAS RN: 56239-05-5
CAS Name: 5-(4-fluorophenyl)-4-pyrimidinamine
OPENEYE Name: 5-(4-fluorophenyl)pyrimidin-4-amine
IUPAC Name: 5-(4-fluorophenyl)pyrimidin-4-amine
SYSTEMATIC NAME: 5-(4-fluorophenyl)pyrimidin-4-amine
MOLECULAR FORMULA: C10H8FN3
MOLECULAR WEIGHT: 189.189023
SMILES: C1=CC(=CC=C1C2=CN=CN=C2N)F
Structure:
CAS RN: 3832-68-6
CAS Name: N2-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C10H8F3N5
MOLECULAR WEIGHT: 255.19923
SMILES: C1=CC(=CC=C1C(F)(F)F)NC2=NC=NC(=N2)N
Structure:
CAS RN: 64965-63-5
CAS Name: (3-methyl-2-phenyl-4-morpholinyl)methylidenecyanamide
OPENEYE Name: (3-methyl-2-phenyl-morpholin-4-yl)methylenecyanamide
IUPAC Name: (3-methyl-2-phenylmorpholin-4-yl)methylidenecyanamide
SYSTEMATIC NAME: (3-methyl-2-phenyl-morpholin-4-yl)methylidenecyanamide
MOLECULAR FORMULA: C13H15N3O
MOLECULAR WEIGHT: 229.2777
SMILES: CC1C(OCCN1C=NC#N)C2=CC=CC=C2
Structure:
CAS RN: 75008-95-6
CAS Name: 5-amino-1-(2,4-dinitrophenyl)-4-pyrazolecarbonitrile
OPENEYE Name: 5-amino-1-(2,4-dinitrophenyl)pyrazole-4-carbonitrile
IUPAC Name: 5-amino-1-(2,4-dinitrophenyl)pyrazole-4-carbonitrile
SYSTEMATIC NAME: 5-azanyl-1-(2,4-dinitrophenyl)pyrazole-4-carbonitrile
MOLECULAR FORMULA: C10H6N6O4
MOLECULAR WEIGHT: 274.19244
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C(=C(C=N2)C#N)N
Structure:
CAS RN: 10537-12-9
CAS Name: 9-phenyl-9,10-dihydroacridine
OPENEYE Name: 9-phenyl-9,10-dihydroacridine
IUPAC Name: 9-phenyl-9,10-dihydroacridine
SYSTEMATIC NAME: 9-phenyl-9,10-dihydroacridine
MOLECULAR FORMULA: C19H15N
MOLECULAR WEIGHT: 257.3291
SMILES: C1=CC=C(C=C1)C2C3=CC=CC=C3NC4=CC=CC=C24
Structure:
CAS RN: 71259-20-6
CAS Name: 2-[(2-diethoxyphosphoryl-1-oxoethyl)amino]butanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-[(2-diethoxyphosphorylacetyl)amino]butanedioate
IUPAC Name: dimethyl 2-[(2-diethoxyphosphorylacetyl)amino]butanedioate
SYSTEMATIC NAME: dimethyl 2-(2-diethoxyphosphorylethanoylamino)butanedioate
MOLECULAR FORMULA: C12H22NO8P
MOLECULAR WEIGHT: 339.278741
SMILES: CCOP(=O)(CC(=O)NC(CC(=O)OC)C(=O)OC)OCC
Structure:
CAS RN: 71259-19-3
CAS Name: 2-[(2-diethoxyphosphoryl-1-oxoethyl)amino]butanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[(2-diethoxyphosphorylacetyl)amino]butanedioate
IUPAC Name: diethyl 2-[(2-diethoxyphosphorylacetyl)amino]butanedioate
SYSTEMATIC NAME: diethyl 2-(2-diethoxyphosphorylethanoylamino)butanedioate
MOLECULAR FORMULA: C14H26NO8P
MOLECULAR WEIGHT: 367.331901
SMILES: CCOC(=O)CC(C(=O)OCC)NC(=O)CP(=O)(OCC)OCC
Structure:
CAS RN: 64372-77-6
CAS Name: 2-[4-(hydroxyamino)-1-pyrazolo[3,4-d]pyrimidinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-[4-(hydroxyamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-[4-(hydroxyamino)pyrazolo[3,4-d]pyrimidin-1-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[4-(oxidanylamino)pyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C10H13N5O5
MOLECULAR WEIGHT: 283.24072
SMILES: C1=NN(C2=C1C(=NC=N2)NO)C3C(C(C(O3)CO)O)O
Structure:
CAS RN: 73851-54-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16N6O5S
MOLECULAR WEIGHT: 380.37904
SMILES: CSC1=NC(=O)C2=C(N1)N(C3=C2C(=NC=N3)N)C4C(C(C(O4)CO)O)O
Structure:
CAS RN: 65360-31-8
CAS Name: 9-ethyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
OPENEYE Name: 9-ethyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
IUPAC Name: 9-ethyl-6,7,9,11-tetrahydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
SYSTEMATIC NAME: 9-ethyl-4-methoxy-6,7,9,11-tetrakis(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione
MOLECULAR FORMULA: C21H20O7
MOLECULAR WEIGHT: 384.3793
SMILES: CCC1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)O)O
Structure:
CAS RN: 10151-46-9
CAS Name: 2-naphthalenesulfonohydrazide
OPENEYE Name: naphthalene-2-sulfonohydrazide
IUPAC Name: naphthalene-2-sulfonohydrazide
SYSTEMATIC NAME: naphthalene-2-sulfonohydrazide
MOLECULAR FORMULA: C10H10N2O2S
MOLECULAR WEIGHT: 222.2636
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NN
Structure:
CAS RN: 75968-24-0
CAS Name: 2-(2-naphthalenylsulfonylhydrazinylidene)acetic acid
OPENEYE Name: 2-(2-naphthylsulfonylhydrazono)acetic acid
IUPAC Name: 2-(naphthalen-2-ylsulfonylhydrazinylidene)acetic acid
SYSTEMATIC NAME: 2-(naphthalen-2-ylsulfonylhydrazinylidene)ethanoic acid
MOLECULAR FORMULA: C12H10N2O4S
MOLECULAR WEIGHT: 278.2838
SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NN=CC(=O)O
Structure:
CAS RN: 59-48-3
CAS Name: 1,3-dihydroindol-2-one
OPENEYE Name: indolin-2-one
IUPAC Name: 1,3-dihydroindol-2-one
SYSTEMATIC NAME: 1,3-dihydroindol-2-one
MOLECULAR FORMULA: C8H7NO
MOLECULAR WEIGHT: 133.14728
SMILES: C1C2=CC=CC=C2NC1=O
Structure:
CAS RN: 51988-00-2
CAS Name: N-(1,3,4-thiadiazol-2-yl)-4-pyridinecarboxamide
OPENEYE Name: N-(1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
IUPAC Name: N-(1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
SYSTEMATIC NAME: N-(1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
MOLECULAR FORMULA: C8H6N4OS
MOLECULAR WEIGHT: 206.22444
SMILES: C1=CN=CC=C1C(=O)NC2=NN=CS2
Structure:
CAS RN: 5218-85-9
CAS Name: N-(2-hydroxyethyl)-N-(2-phenylethyl)dodecanamide
OPENEYE Name: N-(2-hydroxyethyl)-N-(2-phenylethyl)dodecanamide
IUPAC Name: N-(2-hydroxyethyl)-N-(2-phenylethyl)dodecanamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-N-(2-phenylethyl)dodecanamide
MOLECULAR FORMULA: C22H37NO2
MOLECULAR WEIGHT: 347.53468
SMILES: CCCCCCCCCCCC(=O)N(CCC1=CC=CC=C1)CCO
Structure:
CAS RN: 74275-80-2
CAS Name: hexanedioic acid bis(2-methoxy-2-oxoethyl) ester
OPENEYE Name: bis(2-methoxy-2-oxo-ethyl) hexanedioate
IUPAC Name: bis(2-methoxy-2-oxoethyl) hexanedioate
SYSTEMATIC NAME: bis(2-methoxy-2-oxidanylidene-ethyl) hexanedioate
MOLECULAR FORMULA: C12H18O8
MOLECULAR WEIGHT: 290.26652
SMILES: COC(=O)COC(=O)CCCCC(=O)OCC(=O)OC
Structure:
CAS RN: 74275-79-9
CAS Name: 3-phenylpropanoic acid (2-ethoxy-2-oxoethyl) ester
OPENEYE Name: (2-ethoxy-2-oxo-ethyl) 3-phenylpropanoate
IUPAC Name: (2-ethoxy-2-oxoethyl) 3-phenylpropanoate
SYSTEMATIC NAME: (2-ethoxy-2-oxidanylidene-ethyl) 3-phenylpropanoate
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CCOC(=O)COC(=O)CCC1=CC=CC=C1
Structure:
CAS RN: 36557-00-3
CAS Name: 9-octadecenoic acid (2-ethoxy-2-oxoethyl) ester
OPENEYE Name: (2-ethoxy-2-oxo-ethyl) octadec-9-enoate
IUPAC Name: (2-ethoxy-2-oxoethyl) octadec-9-enoate
SYSTEMATIC NAME: (2-ethoxy-2-oxidanylidene-ethyl) octadec-9-enoate
MOLECULAR FORMULA: C22H40O4
MOLECULAR WEIGHT: 368.5506
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(=O)OCC
Structure:
CAS RN: 74275-78-8
CAS Name: 9-octadecenoic acid (2-methoxy-2-oxoethyl) ester
OPENEYE Name: (2-methoxy-2-oxo-ethyl) octadec-9-enoate
IUPAC Name: (2-methoxy-2-oxoethyl) octadec-9-enoate
SYSTEMATIC NAME: (2-methoxy-2-oxidanylidene-ethyl) octadec-9-enoate
MOLECULAR FORMULA: C21H38O4
MOLECULAR WEIGHT: 354.52402
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(=O)OC
Structure:
CAS RN: 74275-84-6
CAS Name: 9-octadecenoic acid 2-[2-(1-oxooctadec-9-enoxy)ethyl-[1-oxo-2-(1-oxooctadec-9-enoxy)ethyl]amino]ethyl ester
OPENEYE Name: 2-[(2-octadec-9-enoyloxyacetyl)-(2-octadec-9-enoyloxyethyl)amino]ethyl octadec-9-enoate
IUPAC Name: 2-[(2-octadec-9-enoyloxyacetyl)-(2-octadec-9-enoyloxyethyl)amino]ethyl octadec-9-enoate
SYSTEMATIC NAME: 2-[2-octadec-9-enoyloxyethanoyl(2-octadec-9-enoyloxyethyl)amino]ethyl octadec-9-enoate
MOLECULAR FORMULA: C60H109NO7
MOLECULAR WEIGHT: 956.50996
SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC=CCCCCCCCC)C(=O)COC(=O)CCCCCCCC=CCCCCCCCC
Structure:
CAS RN: 74275-81-3
CAS Name: nonanoic acid 2-[2-(1-oxononoxy)ethyl-[1-oxo-2-(1-oxononoxy)ethyl]amino]ethyl ester
OPENEYE Name: 2-[(2-nonanoyloxyacetyl)-(2-nonanoyloxyethyl)amino]ethyl nonanoate
IUPAC Name: 2-[(2-nonanoyloxyacetyl)-(2-nonanoyloxyethyl)amino]ethyl nonanoate
SYSTEMATIC NAME: 2-[2-nonanoyloxyethanoyl(2-nonanoyloxyethyl)amino]ethyl nonanoate
MOLECULAR FORMULA: C33H61NO7
MOLECULAR WEIGHT: 583.83994
SMILES: CCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCC)C(=O)COC(=O)CCCCCCCC
Structure:
CAS RN: 74275-77-7
CAS Name: hexadecanoic acid (2-methoxy-2-oxoethyl) ester
OPENEYE Name: (2-methoxy-2-oxo-ethyl) hexadecanoate
IUPAC Name: (2-methoxy-2-oxoethyl) hexadecanoate
SYSTEMATIC NAME: (2-methoxy-2-oxidanylidene-ethyl) hexadecanoate
MOLECULAR FORMULA: C19H36O4
MOLECULAR WEIGHT: 328.48674
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(=O)OC
Structure:
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