CAS RN: 121017-74-1
CAS Name: 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylate
IUPAC Name: ethyl 5-cyano-2-ethyl-6-oxo-1H-pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-2-ethyl-6-oxidanylidene-1H-pyridine-3-carboxylate
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: CCC1=C(C=C(C(=O)N1)C#N)C(=O)OCC
Structure:
CAS RN: 106447-61-4
CAS Name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
OPENEYE Name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
IUPAC Name: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SYSTEMATIC NAME: 3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
MOLECULAR FORMULA: C17H15N5O2
MOLECULAR WEIGHT: 321.3333
SMILES: CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C4=NOC(=N4)C5CC5
Structure:
CAS RN: 121007-17-8
CAS Name: 4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde
OPENEYE Name: 4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde
IUPAC Name: 4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzaldehyde
SYSTEMATIC NAME: 3-(3-methylbut-3-en-1-ynyl)-4-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C12H10O2
MOLECULAR WEIGHT: 186.2066
SMILES: CC(=C)C#CC1=C(C=CC(=C1)C=O)O
Structure:
CAS RN: 120975-36-2
CAS Name: [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl]methanesulfonic acid
OPENEYE Name: [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methanesulfonic acid
IUPAC Name: [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methanesulfonic acid
SYSTEMATIC NAME: [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methanesulfonic acid
MOLECULAR FORMULA: C11H16N5O9PS
MOLECULAR WEIGHT: 425.311601
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3[C@@H]([C@@H]([C@H](O3)COP(=O)(CS(=O)(=O)O)O)O)O
Structure:
CAS RN: 120973-21-9
CAS Name: (8R,9S,10R,13S,14S)-17-(cyclopropylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (8R,9S,10R,13S,14S)-17-(cyclopropylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (8R,9S,10R,13S,14S)-17-(cyclopropylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-17-(cyclopropylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C22H35NO
MOLECULAR WEIGHT: 329.5194
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2NC4CC4)CC=C5[C@@]3(CCC(C5)O)C
Structure:
CAS RN: 106396-24-1
CAS Name: 3-[[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylic acid
OPENEYE Name: 3-[[2-(4-guanidinobutylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylic acid
IUPAC Name: 3-[[1-[4-(diaminomethylideneamino)butylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid
SYSTEMATIC NAME: 3-[[1-[4-[bis(azanyl)methylideneamino]butylamino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoyl]oxirane-2-carboxylic acid
MOLECULAR FORMULA: C18H25N5O6
MOLECULAR WEIGHT: 407.421
SMILES: C1=CC(=CC=C1CC(C(=O)NCCCCN=C(N)N)NC(=O)C2C(O2)C(=O)O)O
Structure:
CAS RN: 120958-90-9
CAS Name: 1-ethyl-3-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]urea
OPENEYE Name: 1-ethyl-3-[3-[3-(1-piperidylmethyl)phenoxy]propyl]urea
IUPAC Name: 1-ethyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
SYSTEMATIC NAME: 1-ethyl-3-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]urea
MOLECULAR FORMULA: C18H29N3O2
MOLECULAR WEIGHT: 319.44176
SMILES: CCNC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2
Structure:
CAS RN: 120943-99-9
CAS Name: [hydroxy(2-naphthalenyl)methyl]phosphonic acid
OPENEYE Name: [hydroxy(2-naphthyl)methyl]phosphonic acid
IUPAC Name: [hydroxy(naphthalen-2-yl)methyl]phosphonic acid
SYSTEMATIC NAME: [naphthalen-2-yl(oxidanyl)methyl]phosphonic acid
MOLECULAR FORMULA: C11H11O4P
MOLECULAR WEIGHT: 238.176401
SMILES: C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O
Structure:
CAS RN: 120938-72-9
CAS Name: 3-[1-(3-cyclohexyl-3-hydroxypropyl)-3,4-dimethyl-4-piperidinyl]phenol
OPENEYE Name: 3-[1-(3-cyclohexyl-3-hydroxy-propyl)-3,4-dimethyl-4-piperidyl]phenol
IUPAC Name: 3-[1-(3-cyclohexyl-3-hydroxypropyl)-3,4-dimethylpiperidin-4-yl]phenol
SYSTEMATIC NAME: 3-[1-(3-cyclohexyl-3-oxidanyl-propyl)-3,4-dimethyl-piperidin-4-yl]phenol
MOLECULAR FORMULA: C22H35NO2
MOLECULAR WEIGHT: 345.5188
SMILES: CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(C3CCCCC3)O
Structure:
CAS RN: 106391-48-4
CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid; 2-furanylmethanamine
OPENEYE Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 2-furylmethanamine
IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid; furan-2-ylmethanamine
SYSTEMATIC NAME: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid; furan-2-ylmethanamine
MOLECULAR FORMULA: C17H18ClN3O6S
MOLECULAR WEIGHT: 427.85932
SMILES: C1=COC(=C1)CN.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
Structure:
CAS RN: 106387-02-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H24O8
MOLECULAR WEIGHT: 488.48536
SMILES: C1C(C2=CC(=C(C=C2C(C3=C(C=C(C=C31)O)O)CC4=CC(=CC(=C4)O)O)O)O)C5=CC(=C(C=C5)O)O
Structure:
CAS RN: 120925-61-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C26H22N4O3
MOLECULAR WEIGHT: 438.47788
SMILES: C[C@@]12[C@@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CN)O
Structure:
CAS RN: 120925-60-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H24N4O3
MOLECULAR WEIGHT: 452.50446
SMILES: C[C@@]12[C@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CNC)O
Structure:
CAS RN: 120925-59-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H26N4O3
MOLECULAR WEIGHT: 466.53104
SMILES: C[C@@]12[C@@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CN(C)C)O
Structure:
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