CAS RN: 56875-74-2
CAS Name: (2Z)-2-[1-[6-[(4Z)-4-(2-ethoxy-2-oxoethylidene)-2,5-dioxo-1-imidazolidinyl]hexyl]-2,5-dioxo-4-imidazolidinylidene]acetic acid ethyl ester
OPENEYE Name: ethyl (2Z)-2-[1-[6-[(4Z)-4-(2-ethoxy-2-oxo-ethylidene)-2,5-dioxo-imidazolidin-1-yl]hexyl]-2,5-dioxo-imidazolidin-4-ylidene]acetate
IUPAC Name: ethyl (2Z)-2-[1-[6-[(4Z)-4-(2-ethoxy-2-oxoethylidene)-2,5-dioxoimidazolidin-1-yl]hexyl]-2,5-dioxoimidazolidin-4-ylidene]acetate
SYSTEMATIC NAME: ethyl (2Z)-2-[1-[6-[(4Z)-4-(2-ethoxy-2-oxidanylidene-ethylidene)-2,5-bis(oxidanylidene)imidazolidin-1-yl]hexyl]-2,5-bis(oxidanylidene)imidazolidin-4-ylidene]ethanoate
MOLECULAR FORMULA: C20H26N4O8
MOLECULAR WEIGHT: 450.44244
SMILES: CCOC(=O)/C=C/1\NC(=O)N(C1=O)CCCCCCN2C(=O)N/C(=C\C(=O)OCC)/C2=O
Structure:
CAS RN: 53059-64-6
CAS Name: (Z)-2-[[cyclohexyl(methyl)amino]methyl]-3-phenyl-2-propenoic acid methyl ester; 2,4,6-trinitrophenol
OPENEYE Name: methyl (Z)-2-[[cyclohexyl(methyl)amino]methyl]-3-phenyl-prop-2-enoate; picric acid
IUPAC Name: methyl (Z)-2-[[cyclohexyl(methyl)amino]methyl]-3-phenylprop-2-enoate; 2,4,6-trinitrophenol
SYSTEMATIC NAME: methyl (Z)-2-[[cyclohexyl(methyl)amino]methyl]-3-phenyl-prop-2-enoate; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C24H28N4O9
MOLECULAR WEIGHT: 516.50052
SMILES: CN(C/C(=C/C1=CC=CC=C1)/C(=O)OC)C2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 53059-60-2
CAS Name: (Z)-3-phenyl-2-(1-piperidinylmethyl)-2-propenoic acid methyl ester; 2,4,6-trinitrophenol
OPENEYE Name: methyl (Z)-3-phenyl-2-(1-piperidylmethyl)prop-2-enoate; picric acid
IUPAC Name: methyl (Z)-3-phenyl-2-(piperidin-1-ylmethyl)prop-2-enoate; 2,4,6-trinitrophenol
SYSTEMATIC NAME: methyl (Z)-3-phenyl-2-(piperidin-1-ylmethyl)prop-2-enoate; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C22H24N4O9
MOLECULAR WEIGHT: 488.44736
SMILES: COC(=O)/C(=C\C1=CC=CC=C1)/CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 53059-66-8
CAS Name: (Z)-2-[(2-methyl-1-piperidinyl)methyl]-3-phenyl-2-propenoic acid methyl ester; 2,4,6-trinitrophenol
OPENEYE Name: methyl (Z)-2-[(2-methyl-1-piperidyl)methyl]-3-phenyl-prop-2-enoate; picric acid
IUPAC Name: methyl (Z)-2-[(2-methylpiperidin-1-yl)methyl]-3-phenylprop-2-enoate; 2,4,6-trinitrophenol
SYSTEMATIC NAME: methyl (Z)-2-[(2-methylpiperidin-1-yl)methyl]-3-phenyl-prop-2-enoate; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C23H26N4O9
MOLECULAR WEIGHT: 502.47394
SMILES: CC1CCCCN1C/C(=C/C2=CC=CC=C2)/C(=O)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 53059-72-6
CAS Name: (Z)-3-(4-chlorophenyl)-2-(1-piperidinylmethyl)-2-propenoic acid methyl ester; 2,4,6-trinitrophenol
OPENEYE Name: methyl (Z)-3-(4-chlorophenyl)-2-(1-piperidylmethyl)prop-2-enoate; picric acid
IUPAC Name: methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate; 2,4,6-trinitrophenol
SYSTEMATIC NAME: methyl (Z)-3-(4-chlorophenyl)-2-(piperidin-1-ylmethyl)prop-2-enoate; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C22H23ClN4O9
MOLECULAR WEIGHT: 522.89242
SMILES: COC(=O)/C(=C\C1=CC=C(C=C1)Cl)/CN2CCCCC2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 18133-10-3
CAS Name: (2Z)-4-acetyl-5-hydroxy-2-(phenylmethylene)-1H-pyrrol-3-one
OPENEYE Name: (2Z)-4-acetyl-2-benzylidene-5-hydroxy-1H-pyrrol-3-one
IUPAC Name: (2Z)-4-acetyl-2-benzylidene-5-hydroxy-1H-pyrrol-3-one
SYSTEMATIC NAME: (2Z)-4-ethanoyl-5-oxidanyl-2-(phenylmethylidene)-1H-pyrrol-3-one
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: CC(=O)C1=C(N/C(=C\C2=CC=CC=C2)/C1=O)O
Structure:
CAS RN: 362-45-8
CAS Name: 2,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3-dimethoxy-5-methyl-6-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C29H48O4
MOLECULAR WEIGHT: 460.68902
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C
Structure:
CAS RN: 60031-26-7
CAS Name: (2Z)-3-oxo-2-(phenylmethylene)-1H-indene-1-carboxylic acid methyl ester
OPENEYE Name: methyl (2Z)-2-benzylidene-3-oxo-indane-1-carboxylate
IUPAC Name: methyl (2Z)-2-benzylidene-3-oxo-1H-indene-1-carboxylate
SYSTEMATIC NAME: methyl (2Z)-3-oxidanylidene-2-(phenylmethylidene)-1H-indene-1-carboxylate
MOLECULAR FORMULA: C18H14O3
MOLECULAR WEIGHT: 278.30196
SMILES: COC(=O)C\1C2=CC=CC=C2C(=O)/C1=C\C3=CC=CC=C3
Structure:
CAS RN: 2723-56-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H48N4O4
MOLECULAR WEIGHT: 660.84422
SMILES: C/C=C/1\CN2CCC34CC5C6CC7C8=C(CC(C6COC5(OC39C2CC1C(N9C1=CC=CC=C41)C(=O)OC)C)N7C)C1=CC=CC=C1N8C
Structure:
CAS RN: 15422-33-0
CAS Name: (E)-1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)-4-pyrimidinyl]methylamino]phenyl]-3-buten-2-one
OPENEYE Name: (E)-1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]but-3-en-2-one
IUPAC Name: (E)-1-chloro-4-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]but-3-en-2-one
SYSTEMATIC NAME: (E)-4-[4-[[2,6-bis(azanyl)-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]-1-chloranyl-but-3-en-2-one
MOLECULAR FORMULA: C21H19Cl2N5O
MOLECULAR WEIGHT: 428.31446
SMILES: C1=CC(=CC=C1/C=C/C(=O)CCl)NCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 18861-37-5
CAS Name: 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
OPENEYE Name: 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]vinyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
IUPAC Name: 6-[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]anilino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
SYSTEMATIC NAME: 6-[[[4-[(E)-2-[2-(chloromethyl)-1,3-dioxolan-2-yl]ethenyl]phenyl]amino]methyl]-5-(4-chlorophenyl)pyrimidine-2,4-diamine
MOLECULAR FORMULA: C23H23Cl2N5O2
MOLECULAR WEIGHT: 472.36702
SMILES: C1COC(O1)(CCl)/C=C/C2=CC=C(C=C2)NCC3=C(C(=NC(=N3)N)N)C4=CC=C(C=C4)Cl
Structure:
CAS RN: 25849-45-0
CAS Name: 5-(3,4-dichlorophenyl)-6-[(1E,3E)-4-(3-pyridinyl)buta-1,3-dienyl]pyrimidine-2,4-diamine
OPENEYE Name: 5-(3,4-dichlorophenyl)-6-[(1E,3E)-4-(3-pyridyl)buta-1,3-dienyl]pyrimidine-2,4-diamine
IUPAC Name: 5-(3,4-dichlorophenyl)-6-[(1E,3E)-4-pyridin-3-ylbuta-1,3-dienyl]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-(3,4-dichlorophenyl)-6-[(1E,3E)-4-pyridin-3-ylbuta-1,3-dienyl]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C19H15Cl2N5
MOLECULAR WEIGHT: 384.2619
SMILES: C1=CC(=CN=C1)/C=C/C=C/C2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl
Structure:
CAS RN: 19160-02-2
CAS Name: (Z)-3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-phenyl-2-propenenitrile
OPENEYE Name: (Z)-3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-phenyl-prop-2-enenitrile
IUPAC Name: (Z)-3-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-2-phenylprop-2-enenitrile
SYSTEMATIC NAME: (Z)-3-[3-[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]phenyl]-2-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C20H20N6
MOLECULAR WEIGHT: 344.413
SMILES: CC1(N=C(N=C(N1C2=CC=CC(=C2)/C=C(\C#N)/C3=CC=CC=C3)N)N)C
Structure:
CAS RN: 22144-77-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H37NO6
MOLECULAR WEIGHT: 507.61788
SMILES: CC1C/C=C/C2C(C(=C)C(C3C2(C(/C=C\C(C1=O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O
Structure:
CAS RN: 14271-40-0
CAS Name: 2-methyl-4-[(E)-2-methyl-1-oxo-3-phenylprop-2-enyl]-3,5-diphenyl-1-cyclohexanone
OPENEYE Name: 2-methyl-4-[(E)-2-methyl-3-phenyl-prop-2-enoyl]-3,5-diphenyl-cyclohexanone
IUPAC Name: 2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enoyl]-3,5-diphenylcyclohexan-1-one
SYSTEMATIC NAME: 2-methyl-4-[(E)-2-methyl-3-phenyl-prop-2-enoyl]-3,5-diphenyl-cyclohexan-1-one
MOLECULAR FORMULA: C29H28O2
MOLECULAR WEIGHT: 408.53142
SMILES: CC1C(C(C(CC1=O)C2=CC=CC=C2)C(=O)/C(=C/C3=CC=CC=C3)/C)C4=CC=CC=C4
Structure:
CAS RN: 53511-41-4
CAS Name: N-[4-amino-6-ethyl-5-(2-hydroxyphenyl)-2-pyrimidinyl]nitramide
OPENEYE Name: N-[4-amino-6-ethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]nitramide
IUPAC Name: N-[4-amino-6-ethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]nitramide
SYSTEMATIC NAME: N-[4-azanyl-6-ethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]nitramide
MOLECULAR FORMULA: C12H13N5O3
MOLECULAR WEIGHT: 275.26332
SMILES: CCC1=C(C(=NC(=N1)N[N+](=O)[O-])N)C2=CC=CC=C2O
Structure:
CAS RN: 53511-38-9
CAS Name: N-[4,6-diethyl-5-(2-hydroxy-4-nitrophenyl)-2-pyrimidinyl]nitramide
OPENEYE Name: N-[4,6-diethyl-5-(2-hydroxy-4-nitro-phenyl)pyrimidin-2-yl]nitramide
IUPAC Name: N-[4,6-diethyl-5-(2-hydroxy-4-nitrophenyl)pyrimidin-2-yl]nitramide
SYSTEMATIC NAME: N-[4,6-diethyl-5-(4-nitro-2-oxidanyl-phenyl)pyrimidin-2-yl]nitramide
MOLECULAR FORMULA: C14H15N5O5
MOLECULAR WEIGHT: 333.2994
SMILES: CCC1=C(C(=NC(=N1)N[N+](=O)[O-])CC)C2=C(C=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 53511-35-6
CAS Name: N-[(6Z)-5-methyl-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-1H-pyrimidin-2-yl]nitramide
OPENEYE Name: N-[(6Z)-5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]nitramide
IUPAC Name: N-[(6Z)-5-methyl-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]nitramide
SYSTEMATIC NAME: N-[(6Z)-5-methyl-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1H-pyrimidin-2-yl]nitramide
MOLECULAR FORMULA: C11H10N4O3
MOLECULAR WEIGHT: 246.2221
SMILES: CC\1=CN=C(N/C1=C\2/C=CC=CC2=O)N[N+](=O)[O-]
Structure:
CAS RN: 53511-34-5
CAS Name: N-[(6Z)-6-(6-oxo-1-cyclohexa-2,4-dienylidene)-4-phenyl-1H-pyrimidin-2-yl]nitramide
OPENEYE Name: N-[(6Z)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-pyrimidin-2-yl]nitramide
IUPAC Name: N-[(6Z)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-pyrimidin-2-yl]nitramide
SYSTEMATIC NAME: N-[(6Z)-6-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-4-phenyl-1H-pyrimidin-2-yl]nitramide
MOLECULAR FORMULA: C16H12N4O3
MOLECULAR WEIGHT: 308.29148
SMILES: C1=CC=C(C=C1)C2=C/C(=C/3\C=CC=CC3=O)/NC(=N2)N[N+](=O)[O-]
Structure:
CAS RN: 53511-37-8
CAS Name: N-[4,6-diethyl-5-(2-hydroxyphenyl)-2-pyrimidinyl]nitramide
OPENEYE Name: N-[4,6-diethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]nitramide
IUPAC Name: N-[4,6-diethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]nitramide
SYSTEMATIC NAME: N-[4,6-diethyl-5-(2-hydroxyphenyl)pyrimidin-2-yl]nitramide
MOLECULAR FORMULA: C14H16N4O3
MOLECULAR WEIGHT: 288.30184
SMILES: CCC1=C(C(=NC(=N1)N[N+](=O)[O-])CC)C2=CC=CC=C2O
Structure:
CAS RN: 53511-39-0
CAS Name: N-[4-ethyl-5-(2-hydroxyphenyl)-6-phenyl-2-pyrimidinyl]nitramide
OPENEYE Name: N-[4-ethyl-5-(2-hydroxyphenyl)-6-phenyl-pyrimidin-2-yl]nitramide
IUPAC Name: N-[4-ethyl-5-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]nitramide
SYSTEMATIC NAME: N-[4-ethyl-5-(2-hydroxyphenyl)-6-phenyl-pyrimidin-2-yl]nitramide
MOLECULAR FORMULA: C18H16N4O3
MOLECULAR WEIGHT: 336.34464
SMILES: CCC1=NC(=NC(=C1C2=CC=CC=C2O)C3=CC=CC=C3)N[N+](=O)[O-]
Structure:
CAS RN: 73861-06-0
CAS Name: 3-[[(Z)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-2-phenyl-4-quinazolinone
OPENEYE Name: 3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-phenyl-quinazolin-4-one
IUPAC Name: 3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-phenylquinazolin-4-one
SYSTEMATIC NAME: 3-[[(Z)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]-2-phenyl-quinazolin-4-one
MOLECULAR FORMULA: C21H15N3O2
MOLECULAR WEIGHT: 341.3627
SMILES: C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N/C=C\4/C=CC=CC4=O
Structure:
CAS RN: 50450-98-1
CAS Name: 3-formyl-5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 3-formyl-5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylate
IUPAC Name: ethyl 3-formyl-5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylate
SYSTEMATIC NAME: ethyl 3-methanoyl-5,7-bis(oxidanyl)-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylate
MOLECULAR FORMULA: C10H11N3O5
MOLECULAR WEIGHT: 253.21144
SMILES: CCOC(=O)C1=C(C2=CN(NC(=C2N1)O)O)C=O
Structure:
CAS RN: 50451-00-8
CAS Name: 2-(5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazin-3-yl)-2-oxoacetic acid
OPENEYE Name: 2-(5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazin-3-yl)-2-oxo-acetic acid
IUPAC Name: 2-(5,7-dihydroxy-1,6-dihydropyrrolo[2,3-d]pyridazin-3-yl)-2-oxoacetic acid
SYSTEMATIC NAME: 2-[5,7-bis(oxidanyl)-1,6-dihydropyrrolo[2,3-d]pyridazin-3-yl]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C8H7N3O5
MOLECULAR WEIGHT: 225.15828
SMILES: C1=C(C2=CN(NC(=C2N1)O)O)C(=O)C(=O)O
Structure:
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