CAS RN: 13073-14-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H54I2N4
MOLECULAR WEIGHT: 772.6283
SMILES: CN1CCC[N+]2(CCC(CC2)(CN(CCC[N+]3(CCC(C1)(CC3)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C.[I-].[I-]
Structure:
CAS RN: 13073-13-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H50I2N4
MOLECULAR WEIGHT: 744.57514
SMILES: C[N+]12CCCNCC3(CC[N+](CCCNCC(CC1)(CC2)C4=CC=CC=C4)(CC3)C)C5=CC=CC=C5.[I-].[I-]
Structure:
CAS RN: 13073-11-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H48N4
MOLECULAR WEIGHT: 488.75032
SMILES: CN1CCCN2CCC(CC2)(CN(CCCN3CCC(C1)(CC3)C4=CC=CC=C4)C)C5=CC=CC=C5
Structure:
CAS RN: 13072-72-5
CAS Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]pentanedioic acid
OPENEYE Name: 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]pentanedioic acid
IUPAC Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]pentanedioic acid
SYSTEMATIC NAME: 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]pentanedioic acid
MOLECULAR FORMULA: C12H12I3NO4
MOLECULAR WEIGHT: 614.94139
SMILES: C1=C(C(=C(C(=C1I)N)I)CC(CCC(=O)O)C(=O)O)I
Structure:
CAS RN: 13071-27-7
CAS Name: 4-[5-(4-morpholinyl)-3-(1-naphthalenyl)pentyl]morpholine
OPENEYE Name: 4-[5-morpholino-3-(1-naphthyl)pentyl]morpholine
IUPAC Name: 4-(5-morpholin-4-yl-3-naphthalen-1-ylpentyl)morpholine
SYSTEMATIC NAME: 4-(5-morpholin-4-yl-3-naphthalen-1-yl-pentyl)morpholine
MOLECULAR FORMULA: C23H32N2O2
MOLECULAR WEIGHT: 368.51238
SMILES: C1COCCN1CCC(CCN2CCOCC2)C3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 13065-47-9
CAS Name: 11-(2-oxocyclopentyl)undecanoic acid
OPENEYE Name: 11-(2-oxocyclopentyl)undecanoic acid
IUPAC Name: 11-(2-oxocyclopentyl)undecanoic acid
SYSTEMATIC NAME: 11-(2-oxidanylidenecyclopentyl)undecanoic acid
MOLECULAR FORMULA: C16H28O3
MOLECULAR WEIGHT: 268.39172
SMILES: C1CC(C(=O)C1)CCCCCCCCCCC(=O)O
Structure:
CAS RN: 13065-38-8
CAS Name: 4-[[3-(dimethylamino)-1-oxopropyl]amino]-2-hydroxybenzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxy-benzoate hydrochloride
IUPAC Name: ethyl 4-[3-(dimethylamino)propanoylamino]-2-hydroxybenzoate hydrochloride
SYSTEMATIC NAME: ethyl 4-[3-(dimethylamino)propanoylamino]-2-oxidanyl-benzoate hydrochloride
MOLECULAR FORMULA: C14H21ClN2O4
MOLECULAR WEIGHT: 316.78054
SMILES: CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCN(C)C)O.Cl
Structure:
CAS RN: 13065-36-6
CAS Name: 2-hydroxy-4-[[3-(4-morpholinyl)-1-oxopropyl]amino]benzoic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-hydroxy-4-(3-morpholinopropanoylamino)benzoate hydrochloride
IUPAC Name: methyl 2-hydroxy-4-(3-morpholin-4-ylpropanoylamino)benzoate hydrochloride
SYSTEMATIC NAME: methyl 4-(3-morpholin-4-ylpropanoylamino)-2-oxidanyl-benzoate hydrochloride
MOLECULAR FORMULA: C15H21ClN2O5
MOLECULAR WEIGHT: 344.79064
SMILES: COC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCOCC2)O.Cl
Structure:
CAS RN: 13065-35-5
CAS Name: 2-hydroxy-4-[[1-oxo-3-(1-piperidinyl)propyl]amino]benzoic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-hydroxy-4-[3-(1-piperidyl)propanoylamino]benzoate hydrochloride
IUPAC Name: methyl 2-hydroxy-4-(3-piperidin-1-ylpropanoylamino)benzoate hydrochloride
SYSTEMATIC NAME: methyl 2-oxidanyl-4-(3-piperidin-1-ylpropanoylamino)benzoate hydrochloride
MOLECULAR FORMULA: C16H23ClN2O4
MOLECULAR WEIGHT: 342.81782
SMILES: COC(=O)C1=C(C=C(C=C1)NC(=O)CCN2CCCCC2)O.Cl
Structure:
CAS RN: 13065-34-4
CAS Name: 4-[[2-(diethylamino)-1-oxoethyl]amino]-2-hydroxybenzoic acid methyl ester hydrochloride
OPENEYE Name: methyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxy-benzoate hydrochloride
IUPAC Name: methyl 4-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate hydrochloride
SYSTEMATIC NAME: methyl 4-[2-(diethylamino)ethanoylamino]-2-oxidanyl-benzoate hydrochloride
MOLECULAR FORMULA: C14H21ClN2O4
MOLECULAR WEIGHT: 316.78054
SMILES: CCN(CC)CC(=O)NC1=CC(=C(C=C1)C(=O)OC)O.Cl
Structure:
CAS RN: 13065-33-3
CAS Name: 2-hydroxy-4-[[1-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-hydroxy-4-[3-(isopropylamino)propanoylamino]benzoate hydrochloride
IUPAC Name: ethyl 2-hydroxy-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride
SYSTEMATIC NAME: ethyl 2-oxidanyl-4-[3-(propan-2-ylamino)propanoylamino]benzoate hydrochloride
MOLECULAR FORMULA: C15H23ClN2O4
MOLECULAR WEIGHT: 330.80712
SMILES: CCOC(=O)C1=C(C=C(C=C1)NC(=O)CCNC(C)C)O.Cl
Structure:
CAS RN: 13064-19-2
CAS Name: 4-[4-(aminomethyl)hepta-1,6-dien-4-yl]phenol hydrochloride
OPENEYE Name: 4-[1-allyl-1-(aminomethyl)but-3-enyl]phenol hydrochloride
IUPAC Name: 4-[4-(aminomethyl)hepta-1,6-dien-4-yl]phenol hydrochloride
SYSTEMATIC NAME: 4-[4-(aminomethyl)hepta-1,6-dien-4-yl]phenol hydrochloride
MOLECULAR FORMULA: C14H20ClNO
MOLECULAR WEIGHT: 253.7677
SMILES: C=CCC(CC=C)(CN)C1=CC=C(C=C1)O.Cl
Structure:
CAS RN: 13064-18-1
CAS Name: 2-phenyl-2-prop-2-enyl-4-penten-1-amine hydrochloride
OPENEYE Name: 2-allyl-2-phenyl-pent-4-en-1-amine hydrochloride
IUPAC Name: 2-phenyl-2-prop-2-enylpent-4-en-1-amine hydrochloride
SYSTEMATIC NAME: 2-phenyl-2-prop-2-enyl-pent-4-en-1-amine hydrochloride
MOLECULAR FORMULA: C14H20ClN
MOLECULAR WEIGHT: 237.7683
SMILES: C=CCC(CC=C)(CN)C1=CC=CC=C1.Cl
Structure:
CAS RN: 13062-99-2
CAS Name: 2-(2,4-dimethoxyphenyl)-N-methylethanamine hydrochloride
OPENEYE Name: 2-(2,4-dimethoxyphenyl)-N-methyl-ethanamine hydrochloride
IUPAC Name: 2-(2,4-dimethoxyphenyl)-N-methylethanamine hydrochloride
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)-N-methyl-ethanamine hydrochloride
MOLECULAR FORMULA: C11H18ClNO2
MOLECULAR WEIGHT: 231.71912
SMILES: CNCCC1=C(C=C(C=C1)OC)OC.Cl
Structure:
CAS RN: 13062-97-0
CAS Name: 2-(2,3-dimethoxyphenyl)-N-methylethanamine hydrochloride
OPENEYE Name: 2-(2,3-dimethoxyphenyl)-N-methyl-ethanamine hydrochloride
IUPAC Name: 2-(2,3-dimethoxyphenyl)-N-methylethanamine hydrochloride
SYSTEMATIC NAME: 2-(2,3-dimethoxyphenyl)-N-methyl-ethanamine hydrochloride
MOLECULAR FORMULA: C11H18ClNO2
MOLECULAR WEIGHT: 231.71912
SMILES: CNCCC1=C(C(=CC=C1)OC)OC.Cl
Structure:
CAS RN: 13062-95-8
CAS Name: 2-(3-methoxyphenyl)-1-propanamine hydrochloride
OPENEYE Name: 2-(3-methoxyphenyl)propan-1-amine hydrochloride
IUPAC Name: 2-(3-methoxyphenyl)propan-1-amine hydrochloride
SYSTEMATIC NAME: 2-(3-methoxyphenyl)propan-1-amine hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CC(CN)C1=CC(=CC=C1)OC.Cl
Structure:
CAS RN: 13062-93-6
CAS Name: 2-(4-methoxyphenyl)-1-propanamine hydrochloride
OPENEYE Name: 2-(4-methoxyphenyl)propan-1-amine hydrochloride
IUPAC Name: 2-(4-methoxyphenyl)propan-1-amine hydrochloride
SYSTEMATIC NAME: 2-(4-methoxyphenyl)propan-1-amine hydrochloride
MOLECULAR FORMULA: C10H16ClNO
MOLECULAR WEIGHT: 201.69314
SMILES: CC(CN)C1=CC=C(C=C1)OC.Cl
Structure:
CAS RN: 13062-76-5
CAS Name: 4-[2-(methylamino)ethyl]phenol hydrochloride
OPENEYE Name: 4-[2-(methylamino)ethyl]phenol hydrochloride
IUPAC Name: 4-[2-(methylamino)ethyl]phenol hydrochloride
SYSTEMATIC NAME: 4-[2-(methylamino)ethyl]phenol hydrochloride
MOLECULAR FORMULA: C9H14ClNO
MOLECULAR WEIGHT: 187.66656
SMILES: CNCCC1=CC=C(C=C1)O.Cl
Structure:
CAS RN: 13055-83-9
CAS Name: 7-[3-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
OPENEYE Name: 7-[3-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
IUPAC Name: 7-[3-[[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
SYSTEMATIC NAME: 7-[3-[[(2S)-2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
MOLECULAR FORMULA: C18H24ClN5O5
MOLECULAR WEIGHT: 425.86666
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCNC[C@H](C3=CC(=C(C=C3)O)O)O.Cl
Structure:
CAS RN: 13055-69-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H15NO
MOLECULAR WEIGHT: 249.3071
SMILES: C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)CNC=O
Structure:
CAS RN: 13046-06-5
CAS Name: trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate
OPENEYE Name: trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate
IUPAC Name: trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate
SYSTEMATIC NAME: trisodium [[4,6-bis(sulfonatomethylamino)-1,3,5-triazin-2-yl]amino]methanesulfonate
MOLECULAR FORMULA: C6H9N6Na3O9S3
MOLECULAR WEIGHT: 474.33477
SMILES: C(NC1=NC(=NC(=N1)NCS(=O)(=O)[O-])NCS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 13044-77-4
CAS Name: carbamothioic acid S-[3-(carbamoylthio)-2,4-dimethylpentyl] ester
OPENEYE Name: S-(3-carbamoylsulfanyl-2,4-dimethyl-pentyl) carbamothioate
IUPAC Name: S-(3-carbamoylsulfanyl-2,4-dimethylpentyl) carbamothioate
SYSTEMATIC NAME: S-(3-aminocarbonylsulfanyl-2,4-dimethyl-pentyl) carbamothioate
MOLECULAR FORMULA: C9H18N2O2S2
MOLECULAR WEIGHT: 250.38142
SMILES: CC(C)C(C(C)CSC(=O)N)SC(=O)N
Structure:
CAS RN: 13038-92-1
CAS Name: 1-methylindeno[2,1-b]pyridine
OPENEYE Name: 1-methylindeno[2,1-b]pyridine
IUPAC Name: 1-methylindeno[2,1-b]pyridine
SYSTEMATIC NAME: 1-methylindeno[2,1-b]pyridine
MOLECULAR FORMULA: C13H11N
MOLECULAR WEIGHT: 181.23314
SMILES: CN1C=CC=C2C1=CC3=CC=CC=C32
Structure:
CAS RN: 13021-96-0
CAS Name: 1-[10-[3-(dimethylamino)propyl]-2-phenothiazinyl]-2-(4-morpholinyl)ethanol
OPENEYE Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholino-ethanol
IUPAC Name: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-ylethanol
SYSTEMATIC NAME: 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-2-morpholin-4-yl-ethanol
MOLECULAR FORMULA: C23H31N3O2S
MOLECULAR WEIGHT: 413.57614
SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(CN4CCOCC4)O
Structure:
CAS RN: 13012-98-1
CAS Name: 2-[bis(dimethylamino)phosphoryl]-1,1,3,3-tetramethylguanidine
OPENEYE Name: 2-[bis(dimethylamino)phosphoryl]-1,1,3,3-tetramethyl-guanidine
IUPAC Name: 2-[bis(dimethylamino)phosphoryl]-1,1,3,3-tetramethylguanidine
SYSTEMATIC NAME: 2-[bis(dimethylamino)phosphoryl]-1,1,3,3-tetramethyl-guanidine
MOLECULAR FORMULA: C9H24N5OP
MOLECULAR WEIGHT: 249.293521
SMILES: CN(C)C(=NP(=O)(N(C)C)N(C)C)N(C)C
Structure:
CAS RN: 13011-32-0
CAS Name: 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylic acid propan-2-yl ester iodide
OPENEYE Name: isopropyl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
IUPAC Name: propan-2-yl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
SYSTEMATIC NAME: propan-2-yl 1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxylate iodide
MOLECULAR FORMULA: C11H20INO2
MOLECULAR WEIGHT: 325.18647
SMILES: CC(C)OC(=O)C1=CCC[N+](C1)(C)C.[I-]
Structure:
CAS RN: 13004-59-6
CAS Name: N3,N4-dimethyl-1-prop-2-enylpyrazole-3,4-dicarboxamide
OPENEYE Name: 1-allyl-N3,N4-dimethyl-pyrazole-3,4-dicarboxamide
IUPAC Name: 3-N,4-N-dimethyl-1-prop-2-enylpyrazole-3,4-dicarboxamide
SYSTEMATIC NAME: N3,N4-dimethyl-1-prop-2-enyl-pyrazole-3,4-dicarboxamide
MOLECULAR FORMULA: C10H14N4O2
MOLECULAR WEIGHT: 222.24376
SMILES: CNC(=O)C1=CN(N=C1C(=O)NC)CC=C
Structure:
CAS RN: 13003-88-8
CAS Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanedioic acid
OPENEYE Name: 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanedioic acid
IUPAC Name: 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanedioic acid
SYSTEMATIC NAME: 2-[[3-azanyl-2,4,6-tris(iodanyl)phenyl]methyl]butanedioic acid
MOLECULAR FORMULA: C11H10I3NO4
MOLECULAR WEIGHT: 600.91481
SMILES: C1=C(C(=C(C(=C1I)N)I)CC(CC(=O)O)C(=O)O)I
Structure:
CAS RN: 13002-45-4
CAS Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylammonium; 4-methylbenzenesulfonate
OPENEYE Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropyl-ammonium; 4-methylbenzenesulfonate
IUPAC Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylazanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 4-methylbenzenesulfonate; methyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]-dipropyl-azanium
MOLECULAR FORMULA: C30H41NO5S
MOLECULAR WEIGHT: 527.71524
SMILES: CCC[N+](C)(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 13002-44-3
CAS Name: diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylammonium; 4-methylbenzenesulfonate
OPENEYE Name: diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methyl-ammonium; 4-methylbenzenesulfonate
IUPAC Name: diethyl-[3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl]-methylazanium; 4-methylbenzenesulfonate
SYSTEMATIC NAME: diethyl-methyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]azanium; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C28H37NO5S
MOLECULAR WEIGHT: 499.66208
SMILES: CC[N+](C)(CC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 12710-38-2
CAS Name: niobium(5+) hydroxide
OPENEYE Name: niobium(5+) hydroxide
IUPAC Name: niobium(5+) hydroxide
SYSTEMATIC NAME: niobium(5+) hydroxide
MOLECULAR FORMULA: HNbO+4
MOLECULAR WEIGHT: 109.91372
SMILES: [OH-].[Nb+5]
Structure:
CAS RN: 58672-48-3
CAS Name: (4S)-4-amino-5-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[[(1S)-2-(1H-indol-3-yl)-1-methyl-ethyl]amino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H21N3O3
MOLECULAR WEIGHT: 303.35624
SMILES: C[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 12650-71-4
CAS Name: 2-[[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: 2-[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexoxy]-4,5-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[2-(hydroxymethyl)-6-[6-(hydroxymethyl)-4-[[3-(hydroxymethyl)-4,5,6-tris(oxidanyl)cyclohex-2-en-1-yl]amino]-2,3-bis(oxidanyl)cyclohexyl]oxy-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C26H45NO18
MOLECULAR WEIGHT: 659.6314
SMILES: C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)CO
Structure:
CAS RN: 12626-16-3
CAS Name: 2-[[2-amino-5-[carbamimidoyl(hydroxy)amino]-1-oxopentyl]amino]-2-[7-(2-amino-9-purinyl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid
OPENEYE Name: 2-[[2-amino-5-[carbamimidoyl(hydroxy)amino]pentanoyl]amino]-2-[7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid
IUPAC Name: 2-[[2-amino-5-[carbamimidoyl(hydroxy)amino]pentanoyl]amino]-2-[7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid
SYSTEMATIC NAME: 2-[[2-azanyl-5-[carbamimidoyl(oxidanyl)amino]pentanoyl]amino]-2-[7-(2-azanylpurin-9-yl)-3,3a,4-tris(oxidanyl)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H30N10O9
MOLECULAR WEIGHT: 554.5138
SMILES: C1C(C2(C(C(OC(C2O1)N3C=NC4=CN=C(N=C43)N)C(C(=O)O)NC(=O)C(CCCN(C(=N)N)O)N)O)O)O
Structure:
CAS RN: 12626-15-2
CAS Name: 2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]amino]-2-[7-(2-amino-9-purinyl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid
OPENEYE Name: 2-[(2-amino-5-guanidino-pentanoyl)amino]-2-[7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid
IUPAC Name: 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-2-[7-(2-aminopurin-9-yl)-3,3a,4-trihydroxy-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]acetic acid
SYSTEMATIC NAME: 2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-2-[7-(2-azanylpurin-9-yl)-3,3a,4-tris(oxidanyl)-2,3,4,5,7,7a-hexahydrofuro[2,3-c]pyran-5-yl]ethanoic acid
MOLECULAR FORMULA: C20H30N10O8
MOLECULAR WEIGHT: 538.5144
SMILES: C1C(C2(C(C(OC(C2O1)N3C=NC4=CN=C(N=C43)N)C(C(=O)O)NC(=O)C(CCCN=C(N)N)N)O)O)O
Structure:
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