CAS RN: 109792-19-0
CAS Name: (2S,3R)-3-acetyloxy-2-methylbutanoic acid [(4aR,5S,6R,8S,8aR)-5-[(3aS,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethyl-2-spiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]yl] ester
OPENEYE Name: [(4aR,5S,6R,8S,8aR)-5-[(3aS,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-8-acetoxy-8a-(acetoxymethyl)-3-hydroxy-5,6-dimethyl-spiro[decalin-1,2'-oxirane]-2-yl] (2S,3R)-3-acetoxy-2-methyl-butanoate
IUPAC Name: [(4aR,5S,6R,8S,8aR)-5-[(3aS,6aR)-5-hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2S,3R)-3-acetyloxy-2-methylbutanoate
SYSTEMATIC NAME: [(4aR,5S,6R,8S,8aR)-5-[(3aS,6aR)-5-oxidanyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-2-yl]-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethyl-3-oxidanyl-spiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2S,3R)-3-acetyloxy-2-methyl-butanoate
MOLECULAR FORMULA: C31H46O13
MOLECULAR WEIGHT: 626.68914
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C3C[C@H]4CC(O[C@H]4O3)O)CC(C(C25CO5)OC(=O)[C@@H](C)[C@@H](C)OC(=O)C)O)COC(=O)C)OC(=O)C
Structure:
CAS RN: 109517-74-0
CAS Name: acetic acid [3,4,5-trihydroxy-6-[[4-hydroxy-2-[[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-5-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-3-oxanyl]oxy]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-trihydroxy-6-[4-hydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxo-chromen-7-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-5-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-tetrahydropyran-3-yl]oxy-tetrahydropyran-2-y
IUPAC Name: [3,4,5-trihydroxy-6-[4-hydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
SYSTEMATIC NAME: [6-[6-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-2-[2-(4-methoxyphenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-5-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C42H54O25
MOLECULAR WEIGHT: 958.86316
SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)COC(=O)C)O)O)O)OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)OC)O)COC7C(C(C(C(O7)CO)O)O)O)O)O)O
Structure:
CAS RN: 109517-69-3
CAS Name: 5,7-dihydroxy-3-[4-hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-7-yl]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(4-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-7-yl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one
SYSTEMATIC NAME: 5,7-bis(oxidanyl)-3-(4-oxidanyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one
MOLECULAR FORMULA: C20H16O6
MOLECULAR WEIGHT: 352.33744
SMILES: CC(=C)C1CC2=C(C=CC(=C2O1)C3=COC4=CC(=CC(=C4C3=O)O)O)O
Structure:
CAS RN: 108069-00-7
CAS Name: 3-[4-[[3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxy]phenyl]-5-hydroxy-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 3-[4-[3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxyphenyl]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 3-[4-[4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxyphenyl]-7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C26H28O14
MOLECULAR WEIGHT: 564.49212
SMILES: C1C(C(C(O1)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)O)(CO)O
Structure:
CAS RN: 108044-05-9
CAS Name: 7-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)-2-oxolanyl]oxymethyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-5-hydroxy-3-(4-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
IUPAC Name: 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-3-(4-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-4-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C26H28O14
MOLECULAR WEIGHT: 564.49212
SMILES: C1[C@@]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC=C(C4=O)C5=CC=C(C=C5)O)O)O)O)O)O)(CO)O
Structure:
CAS RN: 154711-64-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H29NO4
MOLECULAR WEIGHT: 371.46996
SMILES: COC1=C(C=CC2=C1[C@]34CCN([C@H](C2)[C@@]3(CCC(=O)C4)OC)CC5CC5)O
Structure:
CAS RN: 123830-79-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H27Cl2N5O4
MOLECULAR WEIGHT: 484.37618
SMILES: CNCCNC1=C2C3=C(C=C1)N(NC3=C4C(=O)C=CC(=O)C4=C2O)CCNCCO.Cl.Cl
Structure:
CAS RN: 123520-95-6
CAS Name: 2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
OPENEYE Name: 2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
IUPAC Name: 2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
SYSTEMATIC NAME: 2-methoxy-1-(9H-pyrido[3,4-b]indol-1-yl)ethanol
MOLECULAR FORMULA: C14H14N2O2
MOLECULAR WEIGHT: 242.27316
SMILES: COCC(C1=NC=CC2=C1NC3=CC=CC=C23)O
Structure:
CAS RN: 112448-38-1
CAS Name: 2-(5,7-dihydroxy-4-oxo-1-benzopyran-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(5,7-dihydroxy-4-oxo-chromen-3-yl)-5-methoxy-1,4-benzoquinone
IUPAC Name: 2-(5,7-dihydroxy-4-oxochromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-[5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl]-5-methoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C16H10O7
MOLECULAR WEIGHT: 314.2464
SMILES: COC1=CC(=O)C(=CC1=O)C2=COC3=CC(=CC(=C3C2=O)O)O
Structure:
CAS RN: 112388-85-9
CAS Name: 3,8-dimethoxy-4-methyl-1H-indeno[1,2-b]pyridine-5,7-dione
OPENEYE Name: 3,8-dimethoxy-4-methyl-1H-indeno[1,2-b]pyridine-5,7-dione
IUPAC Name: 3,8-dimethoxy-4-methyl-1H-indeno[1,2-b]pyridine-5,7-dione
SYSTEMATIC NAME: 3,8-dimethoxy-4-methyl-1H-indeno[1,2-b]pyridine-5,7-dione
MOLECULAR FORMULA: C15H13NO4
MOLECULAR WEIGHT: 271.26802
SMILES: CC1=C2C(=C3C=C(C(=O)C=C3C2=O)OC)NC=C1OC
Structure:
CAS RN: 112368-57-7
CAS Name: 8-methoxy-4-methyl-1H-indeno[3,2-b]pyridine-5,9-dione
OPENEYE Name: 8-methoxy-4-methyl-1H-indeno[3,2-b]pyridine-5,9-dione
IUPAC Name: 8-methoxy-4-methyl-1H-indeno[3,2-b]pyridine-5,9-dione
SYSTEMATIC NAME: 8-methoxy-4-methyl-1H-indeno[3,2-b]pyridine-5,9-dione
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: CC1=C2C(=C3C(=CC=C(C3=O)OC)C2=O)NC=C1
Structure:
CAS RN: 112241-69-7
CAS Name: (2S)-2-amino-3-[(4Z)-4-(6-hydroxy-1H-quinolin-4-ylidene)-5-oxo-1H-indol-3-yl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[(4Z)-4-(6-hydroxy-1H-quinolin-4-ylidene)-5-oxo-1H-indol-3-yl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[(4Z)-4-(6-hydroxy-1H-quinolin-4-ylidene)-5-oxo-1H-indol-3-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[(4Z)-5-oxidanylidene-4-(6-oxidanyl-1H-quinolin-4-ylidene)-1H-indol-3-yl]propanoic acid
MOLECULAR FORMULA: C20H17N3O4
MOLECULAR WEIGHT: 363.36668
SMILES: C1=CC2=C(C=C1O)/C(=C/3\C(=O)C=CC4=C3C(=CN4)C[C@@H](C(=O)O)N)/C=CN2
Structure:
CAS RN: 111870-35-0
CAS Name: (6Z)-4-chloro-6-[(4-fluoroanilino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-4-chloro-6-[(4-fluoroanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-4-chloro-6-[(4-fluoroanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-4-chloranyl-6-[[(4-fluorophenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H9ClFNO
MOLECULAR WEIGHT: 249.668063
SMILES: C1=CC(=CC=C1N/C=C\2/C=C(C=CC2=O)Cl)F
Structure:
CAS RN: 111870-34-9
CAS Name: (5E)-3-chloro-5-[(4-fluoroanilino)methylidene]-N-(4-fluorophenyl)-6-oxo-1-cyclohexa-1,3-dienecarboxamide
OPENEYE Name: (5E)-3-chloro-5-[(4-fluoroanilino)methylene]-N-(4-fluorophenyl)-6-oxo-cyclohexa-1,3-diene-1-carboxamide
IUPAC Name: (5E)-3-chloro-5-[(4-fluoroanilino)methylidene]-N-(4-fluorophenyl)-6-oxocyclohexa-1,3-diene-1-carboxamide
SYSTEMATIC NAME: (5E)-3-chloranyl-N-(4-fluorophenyl)-5-[[(4-fluorophenyl)amino]methylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxamide
MOLECULAR FORMULA: C20H13ClF2N2O2
MOLECULAR WEIGHT: 386.779226
SMILES: C1=CC(=CC=C1N/C=C/2\C=C(C=C(C2=O)C(=O)NC3=CC=C(C=C3)F)Cl)F
Structure:
CAS RN: 111870-33-8
CAS Name: (5E)-3-chloro-N-(4-chlorophenyl)-5-[(4-fluoroanilino)methylidene]-6-oxo-1-cyclohexa-1,3-dienecarboxamide
OPENEYE Name: (5E)-3-chloro-N-(4-chlorophenyl)-5-[(4-fluoroanilino)methylene]-6-oxo-cyclohexa-1,3-diene-1-carboxamide
IUPAC Name: (5E)-3-chloro-N-(4-chlorophenyl)-5-[(4-fluoroanilino)methylidene]-6-oxocyclohexa-1,3-diene-1-carboxamide
SYSTEMATIC NAME: (5E)-3-chloranyl-N-(4-chlorophenyl)-5-[[(4-fluorophenyl)amino]methylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxamide
MOLECULAR FORMULA: C20H13Cl2FN2O2
MOLECULAR WEIGHT: 403.233823
SMILES: C1=CC(=CC=C1N/C=C/2\C=C(C=C(C2=O)C(=O)NC3=CC=C(C=C3)Cl)Cl)F
Structure:
CAS RN: 111509-14-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H21NO5
MOLECULAR WEIGHT: 355.38444
SMILES: COC1=CC23CCN[C@@H](C2=CC1=O)CCC4=CC5=C(C(=C34)OC)OCO5
Structure:
CAS RN: 111408-40-3
CAS Name: (6R,7S)-6,7-dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
OPENEYE Name: (6R,7S)-6,7-dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
IUPAC Name: (6R,7S)-6,7-dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6R,7S)-6,7-bis(oxidanyl)-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C8H9N5O3
MOLECULAR WEIGHT: 223.18876
SMILES: C1[C@@H]([C@H](N=C2N1C(=O)C3=C(N2)N=CN3)O)O
Structure:
CAS RN: 111265-78-2
CAS Name: (7S,8R)-7-bromo-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (7S,8R)-7-bromo-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (7S,8R)-7-bromo-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (7S,8R)-7-bromanyl-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-oxidanyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C13H16BrN5O5
MOLECULAR WEIGHT: 402.20064
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC4=NC[C@@H]([C@H](N4C3=O)O)Br)CO)O
Structure:
CAS RN: 111265-77-1
CAS Name: (6R,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (6R,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (6R,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6R,7R)-7-bromanyl-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C13H16BrN5O5
MOLECULAR WEIGHT: 402.20064
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC4=N[C@@H]([C@@H](CN4C3=O)Br)O)CO)O
Structure:
CAS RN: 111265-76-0
CAS Name: (6S,7S)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (6S,7S)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (6S,7S)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6S,7S)-7-bromanyl-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C13H16BrN5O5
MOLECULAR WEIGHT: 402.20064
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC4=N[C@H]([C@H](CN4C3=O)Br)O)CO)O
Structure:
CAS RN: 111265-75-9
CAS Name: (6R,7S)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (6R,7S)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (6R,7S)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6R,7S)-7-bromanyl-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C13H16BrN5O5
MOLECULAR WEIGHT: 402.20064
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC4=N[C@@H]([C@H](CN4C3=O)Br)O)CO)O
Structure:
CAS RN: 111189-88-9
CAS Name: (6S,7R)-6,7-dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
OPENEYE Name: (6S,7R)-6,7-dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
IUPAC Name: (6S,7R)-6,7-dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6S,7R)-6,7-bis(oxidanyl)-4,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C8H9N5O3
MOLECULAR WEIGHT: 223.18876
SMILES: C1[C@H]([C@@H](N=C2N1C(=O)C3=C(N2)N=CN3)O)O
Structure:
CAS RN: 111189-87-8
CAS Name: (7R,8S)-7-bromo-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (7R,8S)-7-bromo-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (7R,8S)-7-bromo-8-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (7R,8S)-7-bromanyl-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-8-oxidanyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C13H16BrN5O5
MOLECULAR WEIGHT: 402.20064
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC4=NC[C@H]([C@@H](N4C3=O)O)Br)CO)O
Structure:
CAS RN: 111189-86-7
CAS Name: (6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
OPENEYE Name: (6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
IUPAC Name: (6S,7R)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
SYSTEMATIC NAME: (6S,7R)-7-bromanyl-3-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
MOLECULAR FORMULA: C13H16BrN5O5
MOLECULAR WEIGHT: 402.20064
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC4=N[C@H]([C@@H](CN4C3=O)Br)O)CO)O
Structure:
CAS RN: 111129-14-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H25NO5
MOLECULAR WEIGHT: 383.4376
SMILES: CC(=O)OC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)C=C1
Structure:
CAS RN: 132791-79-8
CAS Name: (3Z)-5-acetyl-6-hydroxy-3-[1-[(phenylmethyl)amino]ethylidene]pyran-2,4-dione
OPENEYE Name: (3Z)-5-acetyl-3-[1-(benzylamino)ethylidene]-6-hydroxy-pyran-2,4-dione
IUPAC Name: (3Z)-5-acetyl-3-[1-(benzylamino)ethylidene]-6-hydroxypyran-2,4-dione
SYSTEMATIC NAME: (3Z)-5-ethanoyl-6-oxidanyl-3-[1-[(phenylmethyl)amino]ethylidene]pyran-2,4-dione
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: CC(=O)C1=C(OC(=O)/C(=C(/C)\NCC2=CC=CC=C2)/C1=O)O
Structure:
CAS RN: 131703-15-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H25BrCl2N6O4
MOLECULAR WEIGHT: 744.4208
SMILES: CC(C)[C@H]1C2=NC3=C(O2)C45[C@@H](NC6=C(C=CC=C64)C7=C8C(=CC=C7)NC(=C8C9=C(N=C3O9)Cl)Cl)OC2=C5C=C(C[C@@H](C(=O)N1)N)C=C2Br
Structure:
CAS RN: 131656-19-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H27ClN2O3
MOLECULAR WEIGHT: 366.88228
SMILES: C[N+]1(CC[C@]23CC(=O)CC[C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)OC)N.[Cl-]
Structure:
CAS RN: 131651-39-3
CAS Name: (2S,3S)-3-[(2,4-dihydroxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-2-methylbutanoic acid
OPENEYE Name: (2S,3S)-3-(2,4-dihydroxy-6-methyl-benzoyl)oxy-2-hydroxy-2-methyl-butanoic acid
IUPAC Name: (2S,3S)-3-(2,4-dihydroxy-6-methylbenzoyl)oxy-2-hydroxy-2-methylbutanoic acid
SYSTEMATIC NAME: (2S,3S)-2-methyl-3-[2-methyl-4,6-bis(oxidanyl)phenyl]carbonyloxy-2-oxidanyl-butanoic acid
MOLECULAR FORMULA: C13H16O7
MOLECULAR WEIGHT: 284.26194
SMILES: CC1=CC(=CC(=C1C(=O)O[C@@H](C)[C@@](C)(C(=O)O)O)O)O
Structure:
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