CAS RN: 19844-74-7
CAS Name: 6-(4-morpholinyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one hydrochloride
OPENEYE Name: 6-morpholino-6,7,8,9-tetrahydrobenzo[7]annulen-5-one hydrochloride
IUPAC Name: 6-morpholin-4-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one hydrochloride
SYSTEMATIC NAME: 6-morpholin-4-yl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one hydrochloride
MOLECULAR FORMULA: C15H20ClNO2
MOLECULAR WEIGHT: 281.7778
SMILES: C1CC(C(=O)C2=CC=CC=C2C1)N3CCOCC3.Cl
Structure:
CAS RN: 63990-70-5
CAS Name: 1-[3-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]ethanone hydrochloride
OPENEYE Name: 1-[3-[3-(diisopropylamino)-2-hydroxy-propoxy]phenyl]ethanone hydrochloride
IUPAC Name: 1-[3-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]ethanone hydrochloride
SYSTEMATIC NAME: 1-[3-[3-[di(propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]ethanone hydrochloride
MOLECULAR FORMULA: C17H28ClNO3
MOLECULAR WEIGHT: 329.86212
SMILES: CC(C)N(CC(COC1=CC=CC(=C1)C(=O)C)O)C(C)C.Cl
Structure:
CAS RN: 37707-90-7
CAS Name: 2-(6,7-dimethoxy-2-naphthalenyl)-N-(phenylmethyl)ethanamine hydrochloride
OPENEYE Name: N-benzyl-2-(6,7-dimethoxy-2-naphthyl)ethanamine hydrochloride
IUPAC Name: N-benzyl-2-(6,7-dimethoxynaphthalen-2-yl)ethanamine hydrochloride
SYSTEMATIC NAME: 2-(6,7-dimethoxynaphthalen-2-yl)-N-(phenylmethyl)ethanamine hydrochloride
MOLECULAR FORMULA: C21H24ClNO2
MOLECULAR WEIGHT: 357.87376
SMILES: COC1=C(C=C2C=C(C=CC2=C1)CCNCC3=CC=CC=C3)OC.Cl
Structure:
CAS RN: 25957-47-5
CAS Name: 2-oxaspiro[2.5]octane-1-carboxylic acid; sodium
OPENEYE Name: 2-oxaspiro[2.5]octane-1-carboxylic acid; sodium
IUPAC Name: 2-oxaspiro[2.5]octane-1-carboxylic acid; sodium
SYSTEMATIC NAME: 2-oxaspiro[2.5]octane-1-carboxylic acid; sodium
MOLECULAR FORMULA: C8H12NaO3
MOLECULAR WEIGHT: 179.16885
SMILES: C1CCC2(CC1)C(O2)C(=O)O.[Na]
Structure:
CAS RN: 5015-75-8
CAS Name: 4-bromobenzenesulfonic acid; sodium
OPENEYE Name: 4-bromobenzenesulfonic acid; sodium
IUPAC Name: 4-bromobenzenesulfonic acid; sodium
SYSTEMATIC NAME: 4-bromanylbenzenesulfonic acid; sodium
MOLECULAR FORMULA: C6H5BrNaO3S
MOLECULAR WEIGHT: 260.06087
SMILES: C1=CC(=CC=C1S(=O)(=O)O)Br.[Na]
Structure:
CAS RN: 32268-95-4
CAS Name: hydrazinylidenemethanedithiolate; palladium
OPENEYE Name: hydrazinylidenemethanedithiolate; palladium
IUPAC Name: hydrazinylidenemethanedithiolate; palladium
SYSTEMATIC NAME: diazanylidenemethanedithiolate; palladium
MOLECULAR FORMULA: C2H4N4PdS4-4
MOLECULAR WEIGHT: 318.75996
SMILES: C(=NN)([S-])[S-].C(=NN)([S-])[S-].[Pd]
Structure:
CAS RN: 32268-94-3
CAS Name: hydrazinylidenemethanedithiolate; nickel
OPENEYE Name: hydrazinylidenemethanedithiolate; nickel
IUPAC Name: hydrazinylidenemethanedithiolate; nickel
SYSTEMATIC NAME: diazanylidenemethanedithiolate; nickel
MOLECULAR FORMULA: C2H4N4NiS4-4
MOLECULAR WEIGHT: 271.03336
SMILES: C(=NN)([S-])[S-].C(=NN)([S-])[S-].[Ni]
Structure:
CAS RN: 886-07-7
CAS Name: benzenecarbothioic acid S-(1-piperidinylmethyl) ester hydrochloride
OPENEYE Name: S-(1-piperidylmethyl) benzenecarbothioate hydrochloride
IUPAC Name: S-(piperidin-1-ylmethyl) benzenecarbothioate hydrochloride
SYSTEMATIC NAME: S-(piperidin-1-ylmethyl) benzenecarbothioate hydrochloride
MOLECULAR FORMULA: C13H18ClNOS
MOLECULAR WEIGHT: 271.80612
SMILES: C1CCN(CC1)CSC(=O)C2=CC=CC=C2.Cl
Structure:
CAS RN: 33663-48-8
CAS Name: 2,4,5-trichloroaniline hydrochloride
OPENEYE Name: 2,4,5-trichloroaniline hydrochloride
IUPAC Name: 2,4,5-trichloroaniline hydrochloride
SYSTEMATIC NAME: 2,4,5-tris(chloranyl)aniline hydrochloride
MOLECULAR FORMULA: C6H5Cl4N
MOLECULAR WEIGHT: 232.9226
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)N.Cl
Structure:
CAS RN: 49830-49-1
CAS Name: 3-[[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[3-[[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy
OPENEYE Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihy
IUPAC Name: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydro
SYSTEMATIC NAME: 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-3-[3-[4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino
MOLECULAR FORMULA: C55H84ClN17O21S3
MOLECULAR WEIGHT: 1451.00476
SMILES: CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.[Cl-]
Structure:
CAS RN: 66547-56-6
CAS Name: 2-amino-6,7-dimethyl-1H-pteridin-4-one; sodium
OPENEYE Name: 2-amino-6,7-dimethyl-1H-pteridin-4-one; sodium
IUPAC Name: 2-amino-6,7-dimethyl-1H-pteridin-4-one; sodium
SYSTEMATIC NAME: 2-azanyl-6,7-dimethyl-1H-pteridin-4-one; sodium
MOLECULAR FORMULA: C8H9N5NaO
MOLECULAR WEIGHT: 214.17973
SMILES: CC1=NC2=C(NC(=NC2=O)N)N=C1C.[Na]
Structure:
CAS RN: 38546-19-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H55N5O13
MOLECULAR WEIGHT: 909.976
SMILES: CC1/C=C/C=C(/C(=O)N=C2/C(=C/NNC3=CC=C(NN3)OC4=CC=CC=C4)/C(=O)C5=C6C(=C(C(=C5C2=O)O)C)OC(C6=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)\C
Structure:
CAS RN: 38598-93-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H55N3O13
MOLECULAR WEIGHT: 869.9519
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCC6=CC=CC=C6C5=O)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 38546-01-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H53N3O13
MOLECULAR WEIGHT: 855.92532
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NN5CC6=CC=CC=C6C5=O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 38546-07-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H55N3O13
MOLECULAR WEIGHT: 869.9519
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CC6=CC=CC=C6CC5=O)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 91861-58-4
CAS Name: (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl-triphenylphosphonium bromide
OPENEYE Name: (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl-triphenyl-phosphonium bromide
IUPAC Name: (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl-triphenylphosphanium bromide
SYSTEMATIC NAME: (6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl-triphenyl-phosphanium bromide
MOLECULAR FORMULA: C28H30BrP
MOLECULAR WEIGHT: 477.415561
SMILES: CC1(C2CC=C(C1C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C.[Br-]
Structure:
CAS RN: 38942-73-3
CAS Name: N-[1-[(2S,4S)-4-[(4-amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-2-hydroxyacetamide hydrochloride
OPENEYE Name: N-[1-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-2-hydroxy-acetamide hydrochloride
IUPAC Name: N-[1-[(2S,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-2-hydroxyacetamide hydrochloride
SYSTEMATIC NAME: N-[1-[(2S,4S)-4-(4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl)oxy-7-methoxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-2-oxidanyl-ethanamide hydrochloride
MOLECULAR FORMULA: C29H34ClN3O11
MOLECULAR WEIGHT: 636.04676
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=NNC(=O)CO)C)O)N)O.Cl
Structure:
CAS RN: 24744-71-6
CAS Name: 5-(2-amino-3-ethoxy-1,3-dioxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 5-(2-amino-3-ethoxy-3-oxo-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate hydrochloride
IUPAC Name: ethyl 5-(2-amino-3-ethoxy-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate hydrochloride
SYSTEMATIC NAME: ethyl 5-(2-azanyl-3-ethoxy-3-oxidanylidene-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate hydrochloride
MOLECULAR FORMULA: C14H21ClN2O5
MOLECULAR WEIGHT: 332.77994
SMILES: CCOC(=O)C1=C(NC(=C1C)C(=O)C(C(=O)OCC)N)C.Cl
Structure:
CAS RN: 53033-77-5
CAS Name: 17-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one hydrochloride
OPENEYE Name: 17-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one hydrochloride
IUPAC Name: 17-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one hydrochloride
SYSTEMATIC NAME: 17-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-10,13-dimethyl-17-oxidanyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one hydrochloride
MOLECULAR FORMULA: C26H38Cl3NO2
MOLECULAR WEIGHT: 502.94442
SMILES: CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C#CCN(CCCl)CCCl)O)C.Cl
Structure:
CAS RN: 53033-76-4
CAS Name: 17-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrochloride
OPENEYE Name: 17-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrochloride
IUPAC Name: 17-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrochloride
SYSTEMATIC NAME: 17-[3-[bis(2-chloroethyl)amino]prop-1-ynyl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol hydrochloride
MOLECULAR FORMULA: C26H40Cl3NO2
MOLECULAR WEIGHT: 504.9603
SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C#CCN(CCCl)CCCl)O)C)O.Cl
Structure:
CAS RN: 15531-41-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C6H12B2N2
MOLECULAR WEIGHT: 133.79488
SMILES: [B-][N+]12CC[N+](CC1)(CC2)[B-]
Structure:
CAS RN: 2962-76-7
CAS Name: carbamimidothioic acid 9-anthracenylmethyl ester hydrochloride
OPENEYE Name: 2-(9-anthrylmethyl)isothiourea hydrochloride
IUPAC Name: anthracen-9-ylmethyl carbamimidothioate hydrochloride
SYSTEMATIC NAME: anthracen-9-ylmethyl carbamimidothioate hydrochloride
MOLECULAR FORMULA: C16H15ClN2S
MOLECULAR WEIGHT: 302.8217
SMILES: C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CSC(=N)N.Cl
Structure:
CAS RN: 38780-43-7
CAS Name: azanide; platinum(2+); propanedioic acid
OPENEYE Name: azanide; malonic acid; platinum(2+)
IUPAC Name: azanide; platinum(2+); propanedioic acid
SYSTEMATIC NAME: azanide; platinum(2+); propanedioic acid
MOLECULAR FORMULA: C3H8N2O4Pt
MOLECULAR WEIGHT: 331.18462
SMILES: C(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]
Structure:
CAS RN: 17399-33-6
CAS Name: 3-(4-phenoxybutyl)aniline hydrochloride
OPENEYE Name: 3-(4-phenoxybutyl)aniline hydrochloride
IUPAC Name: 3-(4-phenoxybutyl)aniline hydrochloride
SYSTEMATIC NAME: 3-(4-phenoxybutyl)aniline hydrochloride
MOLECULAR FORMULA: C16H20ClNO
MOLECULAR WEIGHT: 277.7891
SMILES: C1=CC=C(C=C1)OCCCCC2=CC(=CC=C2)N.Cl
Structure:
CAS RN: 10191-61-4
CAS Name: N-cyanocarbamodithioic acid methyl ester; potassium
OPENEYE Name: methyl N-cyanocarbamodithioate; potassium
IUPAC Name: methyl N-cyanocarbamodithioate; potassium
SYSTEMATIC NAME: methyl N-cyanocarbamodithioate; potassium
MOLECULAR FORMULA: C3H4KN2S2
MOLECULAR WEIGHT: 171.30556
SMILES: CSC(=S)NC#N.[K]
Structure:
CAS RN: 40600-57-5
CAS Name: acetic acid; (2,4,5-trimercurio-3-thiophenyl)mercury
OPENEYE Name: acetic acid; (2,4,5-trimercurio-3-thienyl)mercury
IUPAC Name: acetic acid; (2,4,5-trimercuriothiophen-3-yl)mercury
SYSTEMATIC NAME: ethanoic acid; (2,4,5-trimercuriothiophen-3-yl)mercury
MOLECULAR FORMULA: C12H16Hg4O8S
MOLECULAR WEIGHT: 1122.67564
SMILES: CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.C1(=C(SC(=C1[Hg])[Hg])[Hg])[Hg]
Structure:
CAS RN: 17136-35-5
CAS Name: 2-[(phenylmethyl)amino]acetic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-(benzylamino)acetate hydrochloride
IUPAC Name: methyl 2-(benzylamino)acetate hydrochloride
SYSTEMATIC NAME: methyl 2-[(phenylmethyl)amino]ethanoate hydrochloride
MOLECULAR FORMULA: C10H14ClNO2
MOLECULAR WEIGHT: 215.67666
SMILES: COC(=O)CNCC1=CC=CC=C1.Cl
Structure:
CAS RN: 38136-01-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H56N2O12
MOLECULAR WEIGHT: 876.98584
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\NC5=CC=C(C=C5)C6=CC=CC=C6)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 38129-00-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H58N2O13
MOLECULAR WEIGHT: 870.97972
SMILES: CC1/C=C\C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/C=C(\C)/NOCC5=CC=CC=C5)C(=O)C(O4)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)\C
Structure:
CAS RN: 38129-20-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H47NO13
MOLECULAR WEIGHT: 713.76798
SMILES: CC1/C=C\C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C\C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2O)O)O)\C
Structure:
CAS RN: 33778-33-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H58N2O11
MOLECULAR WEIGHT: 778.92742
SMILES: CC1CCN(CC1)C2=CC3=C(C4=C2C5=C(C(=C4O)C)OC(C5=O)(O/C=C\C(C(C(C(C(C(C(C(/C=C\C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O
Structure:
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