CAS RN: 51934-26-0
CAS Name: 2-[[[4-[(7-amino-5-sulfanylidene-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester hydrochloride
OPENEYE Name: diethyl 2-[[4-[(7-amino-5-thioxo-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate hydrochloride
IUPAC Name: diethyl 2-[[4-[(7-amino-5-sulfanylidene-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]benzoyl]amino]pentanedioate hydrochloride
SYSTEMATIC NAME: diethyl 2-[[4-[(7-azanyl-5-sulfanylidene-8H-pyrimido[5,4-e][1,2,4]triazin-3-yl)methylamino]phenyl]carbonylamino]pentanedioate hydrochloride
MOLECULAR FORMULA: C22H27ClN8O5S
MOLECULAR WEIGHT: 551.01838
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(NC(=NC3=S)N)N=N2.Cl
Structure:
CAS RN: 57464-48-9
CAS Name: 2-[[6-(methylthio)-9-purinyl]amino]pentane-1,5-diol hydrochloride
OPENEYE Name: 2-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol hydrochloride
IUPAC Name: 2-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol hydrochloride
SYSTEMATIC NAME: 2-[(6-methylsulfanylpurin-9-yl)amino]pentane-1,5-diol hydrochloride
MOLECULAR FORMULA: C11H18ClN5O2S
MOLECULAR WEIGHT: 319.81092
SMILES: CSC1=NC=NC2=C1N=CN2NC(CCCO)CO.Cl
Structure:
CAS RN: 52474-42-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H81N3O12
MOLECULAR WEIGHT: 964.23384
SMILES: CCCCCCCCN(CCCCCCCC)N/C=C\1/C2=C(C3=C(C(=C4C(=C3C1=O)C(=O)C(O4)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N2)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 14363-26-9
CAS Name: copper; (6Z)-6-[(hydroxyamino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: copper; (6Z)-6-[(hydroxyamino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: copper; (6Z)-6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: copper; (6Z)-6-[(oxidanylamino)methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H14CuN2O4
MOLECULAR WEIGHT: 337.81796
SMILES: C1=C/C(=C/NO)/C(=O)C=C1.C1=C/C(=C/NO)/C(=O)C=C1.[Cu]
Structure:
CAS RN: 24476-79-7
CAS Name: copper(1+); 2-quinolinecarboxylic acid; 2H-quinolin-1-ide-2-carboxylic acid
OPENEYE Name: cuprous; quinoline-2-carboxylic acid; 2H-quinolin-1-ide-2-carboxylic acid
IUPAC Name: copper(1+); quinoline-2-carboxylic acid; 2H-quinolin-1-ide-2-carboxylic acid
SYSTEMATIC NAME: copper(1+); quinoline-2-carboxylic acid; 2H-quinolin-1-ide-2-carboxylic acid
MOLECULAR FORMULA: C20H15CuN2O4
MOLECULAR WEIGHT: 410.8901
SMILES: C1=CC=C2C(=C1)C=CC([N-]2)C(=O)O.C1=CC=C2C(=C1)C=CC(=N2)C(=O)O.[Cu+]
Structure:
CAS RN: 64439-46-9
CAS Name: [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]thiourea hydrochloride
OPENEYE Name: [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]thiourea hydrochloride
IUPAC Name: [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]thiourea hydrochloride
SYSTEMATIC NAME: 1-[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]thiourea hydrochloride
MOLECULAR FORMULA: C28H33ClN4O9S
MOLECULAR WEIGHT: 637.10102
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(=S)N)C)O)N)O.Cl
Structure:
CAS RN: 30676-29-0
CAS Name: carbanide; gold(3+); dithiocyanate
OPENEYE Name: carbanide; gold(3+); dithiocyanate
IUPAC Name: carbanide; gold(3+); dithiocyanate
SYSTEMATIC NAME: carbanide; gold(3+); dithiocyanate
MOLECULAR FORMULA: C6H12Au2N2S2
MOLECULAR WEIGHT: 570.23598
SMILES: [CH3-].[CH3-].[CH3-].[CH3-].C(#N)[S-].C(#N)[S-].[Au+3].[Au+3]
Structure:
CAS RN: 37992-15-7
CAS Name: 7-bromo-2-ethyl-2,3-dihydroimidazo[1,2-f]phenanthridine hydrobromide
OPENEYE Name: 7-bromo-2-ethyl-2,3-dihydroimidazo[1,2-f]phenanthridine hydrobromide
IUPAC Name: 7-bromo-2-ethyl-2,3-dihydroimidazo[1,2-f]phenanthridine hydrobromide
SYSTEMATIC NAME: 7-bromanyl-2-ethyl-2,3-dihydroimidazo[1,2-f]phenanthridine hydrobromide
MOLECULAR FORMULA: C17H16Br2N2
MOLECULAR WEIGHT: 408.13034
SMILES: CCC1CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C4C2=N1.Br
Structure:
CAS RN: 54946-39-3
CAS Name: N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]-2-propen-1-amine hydrochloride
OPENEYE Name: N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]prop-2-en-1-amine hydrochloride
IUPAC Name: N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]prop-2-en-1-amine hydrochloride
SYSTEMATIC NAME: N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]prop-2-en-1-amine hydrochloride
MOLECULAR FORMULA: C12H22ClNO4
MOLECULAR WEIGHT: 279.76038
SMILES: CC1(OC2C(OC(C2O1)OC)CNCC=C)C.Cl
Structure:
CAS RN: 53092-73-2
CAS Name: 3-bicyclo[3.3.1]non-6-enamine hydrochloride
OPENEYE Name: bicyclo[3.3.1]non-6-en-3-amine hydrochloride
IUPAC Name: bicyclo[3.3.1]non-6-en-3-amine hydrochloride
SYSTEMATIC NAME: bicyclo[3.3.1]non-6-en-3-amine hydrochloride
MOLECULAR FORMULA: C9H16ClN
MOLECULAR WEIGHT: 173.68304
SMILES: C1C=CC2CC1CC(C2)N.Cl
Structure:
CAS RN: 1838-07-9
CAS Name: 1-heptadecanamine hydrochloride
OPENEYE Name: heptadecan-1-amine hydrochloride
IUPAC Name: heptadecan-1-amine hydrochloride
SYSTEMATIC NAME: heptadecan-1-amine hydrochloride
MOLECULAR FORMULA: C17H38ClN
MOLECULAR WEIGHT: 291.94332
SMILES: CCCCCCCCCCCCCCCCCN.Cl
Structure:
CAS RN: 55203-19-5
CAS Name: 9-chloro-10-methylacridin-10-ium; methyl sulfate
OPENEYE Name: 9-chloro-10-methyl-acridin-10-ium; methyl sulfate
IUPAC Name: 9-chloro-10-methylacridin-10-ium; methyl sulfate
SYSTEMATIC NAME: 9-chloranyl-10-methyl-acridin-10-ium; methyl sulfate
MOLECULAR FORMULA: C15H14ClNO4S
MOLECULAR WEIGHT: 339.79396
SMILES: C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)Cl.COS(=O)(=O)[O-]
Structure:
CAS RN: 62383-00-0
CAS Name: N-(4-fluorophenyl)-9-acridinamine hydrochloride
OPENEYE Name: N-(4-fluorophenyl)acridin-9-amine hydrochloride
IUPAC Name: N-(4-fluorophenyl)acridin-9-amine hydrochloride
SYSTEMATIC NAME: N-(4-fluorophenyl)acridin-9-amine hydrochloride
MOLECULAR FORMULA: C19H14ClFN2
MOLECULAR WEIGHT: 324.779263
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)F.Cl
Structure:
CAS RN: 75651-13-7
CAS Name: N-(3-methylphenyl)-9-acridinamine hydrochloride
OPENEYE Name: N-(m-tolyl)acridin-9-amine hydrochloride
IUPAC Name: N-(3-methylphenyl)acridin-9-amine hydrochloride
SYSTEMATIC NAME: N-(3-methylphenyl)acridin-9-amine hydrochloride
MOLECULAR FORMULA: C20H17ClN2
MOLECULAR WEIGHT: 320.81538
SMILES: CC1=CC(=CC=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl
Structure:
CAS RN: 37045-34-4
CAS Name: N4-(9-acridinyl)benzene-1,4-diamine hydrochloride
OPENEYE Name: N4-acridin-9-ylbenzene-1,4-diamine hydrochloride
IUPAC Name: 4-N-acridin-9-ylbenzene-1,4-diamine hydrochloride
SYSTEMATIC NAME: N4-acridin-9-ylbenzene-1,4-diamine hydrochloride
MOLECULAR FORMULA: C19H16ClN3
MOLECULAR WEIGHT: 321.80344
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)N.Cl
Structure:
CAS RN: 72151-34-9
CAS Name: dichloroplatinum(2+); 2-methylpiperidin-1-ide; 6-methyl-2H-pyridin-1-ide
OPENEYE Name: dichloroplatinum(2+); 2-methylpiperidin-1-ide; 6-methyl-2H-pyridin-1-ide
IUPAC Name: dichloroplatinum(2+); 2-methylpiperidin-1-ide; 6-methyl-2H-pyridin-1-ide
SYSTEMATIC NAME: bis(chloranyl)platinum(2+); 2-methylpiperidin-1-ide; 6-methyl-2H-pyridin-1-ide
MOLECULAR FORMULA: C12H20Cl2N2Pt
MOLECULAR WEIGHT: 458.2846
SMILES: CC1CCCC[N-]1.CC1=CC=CC[N-]1.Cl[Pt+2]Cl
Structure:
CAS RN: 15227-44-8
CAS Name: diiodoplatinum(2+); piperidin-1-ide; 2H-pyridin-1-ide
OPENEYE Name: diiodoplatinum(2+); piperidin-1-ide; 2H-pyridin-1-ide
IUPAC Name: diiodoplatinum(2+); piperidin-1-ide; 2H-pyridin-1-ide
SYSTEMATIC NAME: bis(iodanyl)platinum(2+); piperidin-1-ide; 2H-pyridin-1-ide
MOLECULAR FORMULA: C10H16I2N2Pt
MOLECULAR WEIGHT: 613.13438
SMILES: C1CC[N-]CC1.C1C=CC=C[N-]1.I[Pt+2]I
Structure:
CAS RN: 14515-52-7
CAS Name: piperidin-1-ide; platinum(4+); 2H-pyridin-1-ide
OPENEYE Name: piperidin-1-ide; platinum(4+); 2H-pyridin-1-ide
IUPAC Name: piperidin-1-ide; platinum(4+); 2H-pyridin-1-ide
SYSTEMATIC NAME: piperidin-1-ide; platinum(4+); 2H-pyridin-1-ide
MOLECULAR FORMULA: C20H36N4Pt
MOLECULAR WEIGHT: 527.60464
SMILES: C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.[Pt+4]
Structure:
CAS RN: 36515-71-6
CAS Name: piperidin-1-ide; platinum(4+); 2H-pyridin-1-ide
OPENEYE Name: piperidin-1-ide; platinum(4+); 2H-pyridin-1-ide
IUPAC Name: piperidin-1-ide; platinum(4+); 2H-pyridin-1-ide
SYSTEMATIC NAME: piperidin-1-ide; platinum(4+); 2H-pyridin-1-ide
MOLECULAR FORMULA: C20H36N4Pt
MOLECULAR WEIGHT: 527.60464
SMILES: C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1C=CC=C[N-]1.[Pt+4]
Structure:
CAS RN: 65681-52-9
CAS Name: dichlororhodium; 1H-pyrazole
OPENEYE Name: dichlororhodium; 1H-pyrazole
IUPAC Name: dichlororhodium; 1H-pyrazole
SYSTEMATIC NAME: bis(chloranyl)rhodium; 1H-pyrazole
MOLECULAR FORMULA: C12H16Cl2N8Rh
MOLECULAR WEIGHT: 446.12054
SMILES: C1=CNN=C1.C1=CNN=C1.C1=CNN=C1.C1=CNN=C1.Cl[Rh]Cl
Structure:
CAS RN: 22933-80-8
CAS Name: dichlororhodium; 3,5-dimethylpiperidin-1-ide; 3,5-dimethyl-2H-pyridin-1-ide
OPENEYE Name: dichlororhodium; 3,5-dimethylpiperidin-1-ide; 3,5-dimethyl-2H-pyridin-1-ide
IUPAC Name: dichlororhodium; 3,5-dimethylpiperidin-1-ide; 3,5-dimethyl-2H-pyridin-1-ide
SYSTEMATIC NAME: bis(chloranyl)rhodium; 3,5-dimethylpiperidin-1-ide; 3,5-dimethyl-2H-pyridin-1-ide
MOLECULAR FORMULA: C28H52Cl2N4Rh-4
MOLECULAR WEIGHT: 618.55078
SMILES: CC1CC(C[N-]C1)C.CC1CC(C[N-]C1)C.CC1CC(C[N-]C1)C.CC1=CC(=C[N-]C1)C.Cl[Rh]Cl
Structure:
CAS RN: 51933-86-9
CAS Name: dichloropalladium; tris(1-aziridinyl)phosphine
OPENEYE Name: dichloropalladium; tris(aziridin-1-yl)phosphane
IUPAC Name: dichloropalladium; tris(aziridin-1-yl)phosphane
SYSTEMATIC NAME: bis(chloranyl)palladium; tris(aziridin-1-yl)phosphane
MOLECULAR FORMULA: C12H24Cl2N6P2Pd
MOLECULAR WEIGHT: 491.632682
SMILES: C1CN1P(N2CC2)N3CC3.C1CN1P(N2CC2)N3CC3.Cl[Pd]Cl
Structure:
CAS RN: 51933-85-8
CAS Name: carbon monoxide; molybdenum; tris(1-aziridinyl)phosphine
OPENEYE Name: carbon monoxide; molybdenum; tris(aziridin-1-yl)phosphane
IUPAC Name: carbon monoxide; molybdenum; tris(aziridin-1-yl)phosphane
SYSTEMATIC NAME: carbon monoxide; molybdenum; tris(aziridin-1-yl)phosphane
MOLECULAR FORMULA: C11H12MoN3O5P
MOLECULAR WEIGHT: 393.143841
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CN1P(N2CC2)N3CC3.[Mo]
Structure:
CAS RN: 51933-84-7
CAS Name: carbon monoxide; chromium; tris(1-aziridinyl)phosphonium
OPENEYE Name: carbon monoxide; chromium; tris(aziridin-1-yl)phosphonium
IUPAC Name: carbon monoxide; chromium; tris(aziridin-1-yl)phosphanium
SYSTEMATIC NAME: carbon monoxide; chromium; tris(aziridin-1-yl)phosphanium
MOLECULAR FORMULA: C11H13CrN3O5P+
MOLECULAR WEIGHT: 350.207881
SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CN1[PH+](N2CC2)N3CC3.[Cr]
Structure:
CAS RN: 10347-93-0
CAS Name: 3-methylpentanoic acid; sodium
OPENEYE Name: 3-methylpentanoic acid; sodium
IUPAC Name: 3-methylpentanoic acid; sodium
SYSTEMATIC NAME: 3-methylpentanoic acid; sodium
MOLECULAR FORMULA: C6H12NaO2
MOLECULAR WEIGHT: 139.14805
SMILES: CCC(C)CC(=O)O.[Na]
Structure:
CAS RN: 64834-67-9
CAS Name: 2-[(4-chlorophenyl)methylamino]ethanol hydrochloride
OPENEYE Name: 2-[(4-chlorophenyl)methylamino]ethanol hydrochloride
IUPAC Name: 2-[(4-chlorophenyl)methylamino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylamino]ethanol hydrochloride
MOLECULAR FORMULA: C9H13Cl2NO
MOLECULAR WEIGHT: 222.11162
SMILES: C1=CC(=CC=C1CNCCO)Cl.Cl
Structure:
CAS RN: 15864-85-4
CAS Name: 6-oxo-1H-pyridine-3-carboxylic acid; sodium
OPENEYE Name: 6-oxo-1H-pyridine-3-carboxylic acid; sodium
IUPAC Name: 6-oxo-1H-pyridine-3-carboxylic acid; sodium
SYSTEMATIC NAME: 6-oxidanylidene-1H-pyridine-3-carboxylic acid; sodium
MOLECULAR FORMULA: C6H5NNaO3
MOLECULAR WEIGHT: 162.09857
SMILES: C1=CC(=O)NC=C1C(=O)O.[Na]
Structure:
CAS RN: 13444-34-3
CAS Name: acetic acid [1-[2-(1H-indol-3-yl)ethyl]-3-pyridin-1-iumyl]methyl ester bromide
OPENEYE Name: [1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]methyl acetate bromide
IUPAC Name: [1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]methyl acetate bromide
SYSTEMATIC NAME: [1-[2-(1H-indol-3-yl)ethyl]pyridin-1-ium-3-yl]methyl ethanoate bromide
MOLECULAR FORMULA: C18H19BrN2O2
MOLECULAR WEIGHT: 375.25966
SMILES: CC(=O)OCC1=C[N+](=CC=C1)CCC2=CNC3=CC=CC=C32.[Br-]
Structure:
CAS RN: 41979-57-1
CAS Name: trimethyl-[(1-methyl-2-indolyl)methyl]ammonium iodide
OPENEYE Name: trimethyl-[(1-methylindol-2-yl)methyl]ammonium iodide
IUPAC Name: trimethyl-[(1-methylindol-2-yl)methyl]azanium iodide
SYSTEMATIC NAME: trimethyl-[(1-methylindol-2-yl)methyl]azanium iodide
MOLECULAR FORMULA: C13H19IN2
MOLECULAR WEIGHT: 330.20783
SMILES: CN1C2=CC=CC=C2C=C1C[N+](C)(C)C.[I-]
Structure:
CAS RN: 51707-10-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H50N6O14
MOLECULAR WEIGHT: 826.8461
SMILES: CC1/C=C/C=C(/C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C\N/N=C(\N)/N[N+](=O)[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:
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