CAS RN: 59277-99-5
CAS Name: acetic acid 2-[(2,6-dichloro-9-purinyl)methoxy]ethyl ester
OPENEYE Name: 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl acetate
IUPAC Name: 2-[(2,6-dichloropurin-9-yl)methoxy]ethyl acetate
SYSTEMATIC NAME: 2-[[2,6-bis(chloranyl)purin-9-yl]methoxy]ethyl ethanoate
MOLECULAR FORMULA: C10H10Cl2N4O3
MOLECULAR WEIGHT: 305.1174
SMILES: CC(=O)OCCOCN1C=NC2=C1N=C(N=C2Cl)Cl
Structure:
CAS RN: 179324-69-7
CAS Name: [(1R)-3-methyl-1-[[(2S)-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]-3-phenylpropyl]amino]butyl]boronic acid
OPENEYE Name: [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
IUPAC Name: [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]butyl]boronic acid
SYSTEMATIC NAME: [(1R)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
MOLECULAR FORMULA: C19H25BN4O4
MOLECULAR WEIGHT: 384.2372
SMILES: B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
Structure:
CAS RN: 56517-01-2
CAS Name: 1-(2-bromo-5-methoxyphenyl)-N-(6,7-dimethoxy-1-naphthalenyl)methanimine
OPENEYE Name: 1-(2-bromo-5-methoxy-phenyl)-N-(6,7-dimethoxy-1-naphthyl)methanimine
IUPAC Name: 1-(2-bromo-5-methoxyphenyl)-N-(6,7-dimethoxynaphthalen-1-yl)methanimine
SYSTEMATIC NAME: 1-(2-bromanyl-5-methoxy-phenyl)-N-(6,7-dimethoxynaphthalen-1-yl)methanimine
MOLECULAR FORMULA: C20H18BrNO3
MOLECULAR WEIGHT: 400.26582
SMILES: COC1=CC(=C(C=C1)Br)C=NC2=CC=CC3=CC(=C(C=C32)OC)OC
Structure:
CAS RN: 52401-42-0
CAS Name: 6,7-dimethoxy-1-naphthalenamine
OPENEYE Name: 6,7-dimethoxynaphthalen-1-amine
IUPAC Name: 6,7-dimethoxynaphthalen-1-amine
SYSTEMATIC NAME: 6,7-dimethoxynaphthalen-1-amine
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: COC1=C(C=C2C(=C1)C=CC=C2N)OC
Structure:
CAS RN: 2973-80-0
CAS Name: 2-bromo-5-hydroxybenzaldehyde
OPENEYE Name: 2-bromo-5-hydroxy-benzaldehyde
IUPAC Name: 2-bromo-5-hydroxybenzaldehyde
SYSTEMATIC NAME: 2-bromanyl-5-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C7H5BrO2
MOLECULAR WEIGHT: 201.0174
SMILES: C1=CC(=C(C=C1O)C=O)Br
Structure:
CAS RN: 56517-15-8
CAS Name: 2,3,8-trimethoxybenzo[c]phenanthridine
OPENEYE Name: 2,3,8-trimethoxybenzo[c]phenanthridine
IUPAC Name: 2,3,8-trimethoxybenzo[c]phenanthridine
SYSTEMATIC NAME: 2,3,8-trimethoxybenzo[c]phenanthridine
MOLECULAR FORMULA: C20H17NO3
MOLECULAR WEIGHT: 319.35388
SMILES: COC1=CC2=CN=C3C(=C2C=C1)C=CC4=CC(=C(C=C43)OC)OC
Structure:
CAS RN: 209-53-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H8O
MOLECULAR WEIGHT: 168.19132
SMILES: C1=CC2=C3C(=COC3=CC=C2)C=C1
Structure:
CAS RN: 123958-40-7
CAS Name: 2-[(5-oxo-4-benzo[7]annulenyl)oxy]acetic acid
OPENEYE Name: 2-(5-oxobenzo[7]annulen-4-yl)oxyacetic acid
IUPAC Name: 2-(5-oxobenzo[7]annulen-4-yl)oxyacetic acid
SYSTEMATIC NAME: 2-(5-oxidanylidenebenzo[7]annulen-4-yl)oxyethanoic acid
MOLECULAR FORMULA: C13H10O4
MOLECULAR WEIGHT: 230.2161
SMILES: C1=CC2=C(C(=O)C=C1)C(=CC=C2)OCC(=O)O
Structure:
CAS RN: 123958-37-2
CAS Name: acetic acid (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) ester
OPENEYE Name: (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) acetate
IUPAC Name: (5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) acetate
SYSTEMATIC NAME: (5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-4-yl) ethanoate
MOLECULAR FORMULA: C13H14O3
MOLECULAR WEIGHT: 218.24846
SMILES: CC(=O)OC1=CC=CC2=C1C(=O)CCCC2
Structure:
CAS RN: 25713-60-4
CAS Name: (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
OPENEYE Name: (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
IUPAC Name: (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SYSTEMATIC NAME: (3aR,6aR)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
MOLECULAR FORMULA: C7H10O4
MOLECULAR WEIGHT: 158.1519
SMILES: CC1(O[C@@H]2COC(=O)[C@@H]2O1)C
Structure:
CAS RN: 106674-01-5
CAS Name: 1-(4-methylphenyl)sulfonyl-4-(4-phenylmethoxycarbonyl-1H-pyrrol-3-yl)-2-pyrrolecarboxylic acid methyl ester
OPENEYE Name: methyl 4-(4-benzyloxycarbonyl-1H-pyrrol-3-yl)-1-(p-tolylsulfonyl)pyrrole-2-carboxylate
IUPAC Name: methyl 1-(4-methylphenyl)sulfonyl-4-(4-phenylmethoxycarbonyl-1H-pyrrol-3-yl)pyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 1-(4-methylphenyl)sulfonyl-4-(4-phenylmethoxycarbonyl-1H-pyrrol-3-yl)pyrrole-2-carboxylate
MOLECULAR FORMULA: C25H22N2O6S
MOLECULAR WEIGHT: 478.51698
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=CNC=C3C(=O)OCC4=CC=CC=C4
Structure:
CAS RN: 106674-03-7
CAS Name: 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylic acid O2-methyl ester O8-(phenylmethyl) ester
OPENEYE Name: O8-benzyl O2-methyl 4,5-dioxo-3-(p-tolylsulfonyl)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
IUPAC Name: 8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
SYSTEMATIC NAME: O2-methyl O8-(phenylmethyl) 3-(4-methylphenyl)sulfonyl-4,5-bis(oxidanylidene)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
MOLECULAR FORMULA: C27H20N2O8S
MOLECULAR WEIGHT: 532.5213
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)C(=O)C4=C3C(=CN4)C(=O)OCC5=CC=CC=C5)C(=O)OC
Structure:
CAS RN: 124341-23-7
CAS Name: N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide hydrochloride
OPENEYE Name: N-[2-(dimethylamino)ethyl]-2-(4-pyridyl)-1H-benzimidazole-4-carboxamide hydrochloride
IUPAC Name: N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide hydrochloride
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide hydrochloride
MOLECULAR FORMULA: C17H20ClN5O
MOLECULAR WEIGHT: 345.8266
SMILES: CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3.Cl
Structure:
CAS RN: 147819-28-1
CAS Name: 2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,5,3,2$l^{5},4$l^{5}-dioxathiadiphosphepane
OPENEYE Name: 2,4-bis(4-methoxyphenyl)-2,4-dithioxo-1,5,3,2$l^{5},4$l^{5}-dioxathiadiphosphepane
IUPAC Name: 2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,5,3,2$l^{5},4$l^{5}-dioxathiadiphosphepane
SYSTEMATIC NAME: 2,4-bis(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,5,3,2$l^{5},4$l^{5}-dioxathiadiphosphepane
MOLECULAR FORMULA: C16H18O4P2S3
MOLECULAR WEIGHT: 432.454242
SMILES: COC1=CC=C(C=C1)P2(=S)OCCOP(=S)(S2)C3=CC=C(C=C3)OC
Structure:
CAS RN: 27069-98-3
CAS Name: 1-[3-azido-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11N5O5
MOLECULAR WEIGHT: 269.21414
SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]
Structure:
CAS RN: 26929-65-7
CAS Name: 1-[3-azido-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11N5O5
MOLECULAR WEIGHT: 269.21414
SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]
Structure:
CAS RN: 51034-68-5
CAS Name: 4-amino-1-[3-azido-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[3-azido-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[3-azido-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H12N6O4
MOLECULAR WEIGHT: 268.22938
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[N-]
Structure:
CAS RN: 6943-93-7
CAS Name: 1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-iodopyrimidine-2,4-dione
OPENEYE Name: 1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-iodo-pyrimidine-2,4-dione
IUPAC Name: 1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-iodanyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H10FIN2O5
MOLECULAR WEIGHT: 372.088973
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)I
Structure:
CAS RN: 82846-06-8
CAS Name: 1-(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)-N-phenylmethanesulfonamide
OPENEYE Name: 1-(7,7-dimethyl-2-oxo-norbornan-1-yl)-N-phenyl-methanesulfonamide
IUPAC Name: 1-(7,7-dimethyl-3-oxo-4-bicyclo[2.2.1]heptanyl)-N-phenylmethanesulfonamide
SYSTEMATIC NAME: 1-(7,7-dimethyl-3-oxidanylidene-4-bicyclo[2.2.1]heptanyl)-N-phenyl-methanesulfonamide
MOLECULAR FORMULA: C16H21NO3S
MOLECULAR WEIGHT: 307.40784
SMILES: CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC=CC=C3)C
Structure:
CAS RN: 1675-02-1
CAS Name: 1,4-bis[3-(4-morpholinyl)propylamino]anthracene-9,10-dione
OPENEYE Name: 1,4-bis(3-morpholinopropylamino)anthracene-9,10-dione
IUPAC Name: 1,4-bis(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1,4-bis(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
MOLECULAR FORMULA: C28H36N4O4
MOLECULAR WEIGHT: 492.60984
SMILES: C1COCCN1CCCNC2=C3C(=C(C=C2)NCCCN4CCOCC4)C(=O)C5=CC=CC=C5C3=O
Structure:
CAS RN: 4586-68-9
CAS Name: 2-[(4aR,8R)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-2-propenoic acid
OPENEYE Name: 2-[(4aR,8R)-8-hydroxy-4a,8-dimethyl-decalin-2-yl]prop-2-enoic acid
IUPAC Name: 2-[(4aR,8R)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
SYSTEMATIC NAME: 2-[(4aR,8R)-4a,8-dimethyl-8-oxidanyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoic acid
MOLECULAR FORMULA: C15H24O3
MOLECULAR WEIGHT: 252.34926
SMILES: C[C@]12CCC[C@@](C1CC(CC2)C(=C)C(=O)O)(C)O
Structure:
CAS RN: 174078-12-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H33N3
MOLECULAR WEIGHT: 459.62452
SMILES: C1C2C3C4C1C5C2[C@@]6(C3C4[C@]5(N6CC7=CC=CC=C7)NCC8=CC=CC=C8)NCC9=CC=CC=C9
Structure:
CAS RN: 17496-93-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H33N3
MOLECULAR WEIGHT: 459.62452
SMILES: C1C2C3C4C1C5C2[C@@]6(C3C4[C@]5(N6CC7=CC=CC=C7)NCC8=CC=CC=C8)NCC9=CC=CC=C9
Structure:
No comments:
Post a Comment