CAS RN: 87842-99-7
CAS Name: 2-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphorin-6-yl)-4-thiazolecarboxamide; sodium
OPENEYE Name: 2-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)thiazole-4-carboxamide; sodium
IUPAC Name: 2-(2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-1,3-thiazole-4-carboxamide; sodium
SYSTEMATIC NAME: 2-[2,7-bis(oxidanyl)-2-oxidanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,3-thiazole-4-carboxamide; sodium
MOLECULAR FORMULA: C9H11N2NaO7PS
MOLECULAR WEIGHT: 345.221371
SMILES: C1C2C(C(C(O2)C3=NC(=CS3)C(=O)N)O)OP(=O)(O1)O.[Na]
Structure:
CAS RN: 87598-02-5
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-hydroxy-2-pyridinone hydrochloride
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-hydroxy-pyridin-2-one hydrochloride
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridin-2-one hydrochloride
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-oxidanyl-pyridin-2-one hydrochloride
MOLECULAR FORMULA: C10H14ClNO6
MOLECULAR WEIGHT: 279.67426
SMILES: C1=CN(C(=O)C(=C1)O)C2C(C(C(O2)CO)O)O.Cl
Structure:
CAS RN: 92407-63-1
CAS Name: (2-azanidylcyclohexyl)azanide; platinum(2+); 2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanoic acid
OPENEYE Name: (2-azanidylcyclohexyl)azanide; platinum(2+); 2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid
IUPAC Name: (2-azanidylcyclohexyl)azanide; platinum(2+); 2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
SYSTEMATIC NAME: (2-azanidylcyclohexyl)azanide; 4-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoic acid; platinum(2+)
MOLECULAR FORMULA: C30H56N2O24Pt
MOLECULAR WEIGHT: 1023.84264
SMILES: C1CCC(C(C1)[NH-])[NH-].C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O.[Pt+2]
Structure:
CAS RN: 94597-57-6
CAS Name: 6-amino-1-methyl-3-[2-(4-morpholinyl)ethyl]-5-(1-oxo-3-phenylprop-2-enyl)pyrimidine-2,4-dione hydrochloride
OPENEYE Name: 6-amino-1-methyl-3-(2-morpholinoethyl)-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione hydrochloride
IUPAC Name: 6-amino-1-methyl-3-(2-morpholin-4-ylethyl)-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione hydrochloride
SYSTEMATIC NAME: 6-azanyl-1-methyl-3-(2-morpholin-4-ylethyl)-5-(3-phenylprop-2-enoyl)pyrimidine-2,4-dione hydrochloride
MOLECULAR FORMULA: C20H25ClN4O4
MOLECULAR WEIGHT: 420.8899
SMILES: CN1C(=C(C(=O)N(C1=O)CCN2CCOCC2)C(=O)C=CC3=CC=CC=C3)N.Cl
Structure:
CAS RN: 73920-56-6
CAS Name: chloroplatinum(1+); (Z)-[6-[(Z)-(6-imino-1-cyclohexa-2,4-dienylidene)methyl]imino-1-cyclohexa-2,4-dienylidene]methanolate
OPENEYE Name: chloroplatinum(1+); (Z)-[6-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate
IUPAC Name: chloroplatinum(1+); (Z)-[6-[(Z)-(6-iminocyclohexa-2,4-dien-1-ylidene)methyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate
SYSTEMATIC NAME: (Z)-[6-[(Z)-(6-azanylidenecyclohexa-2,4-dien-1-ylidene)methyl]iminocyclohexa-2,4-dien-1-ylidene]methanolate; chloranylplatinum(1+)
MOLECULAR FORMULA: C14H11ClN2OPt
MOLECULAR WEIGHT: 453.78094
SMILES: C1=C/C(=C/N=C\2C=CC=C/C2=C/[O-])/C(=N)C=C1.Cl[Pt+]
Structure:
CAS RN: 79955-40-1
CAS Name: 1-(2-chloroethyl)-1-nitroso-3-(2-pyridinylmethyl)urea hydrochloride
OPENEYE Name: 1-(2-chloroethyl)-1-nitroso-3-(2-pyridylmethyl)urea hydrochloride
IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-(pyridin-2-ylmethyl)urea hydrochloride
SYSTEMATIC NAME: 1-(2-chloroethyl)-1-nitroso-3-(pyridin-2-ylmethyl)urea hydrochloride
MOLECULAR FORMULA: C9H12Cl2N4O2
MOLECULAR WEIGHT: 279.12318
SMILES: C1=CC=NC(=C1)CNC(=O)N(CCCl)N=O.Cl
Structure:
CAS RN: 42471-21-6
CAS Name: 1-(2-chloroethyl)-1-nitroso-3-(pyridin-4-ylmethyl)urea hydrochloride
OPENEYE Name: 1-(2-chloroethyl)-1-nitroso-3-(4-pyridylmethyl)urea hydrochloride
IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-(pyridin-4-ylmethyl)urea hydrochloride
SYSTEMATIC NAME: 1-(2-chloroethyl)-1-nitroso-3-(pyridin-4-ylmethyl)urea hydrochloride
MOLECULAR FORMULA: C9H12Cl2N4O2
MOLECULAR WEIGHT: 279.12318
SMILES: C1=CN=CC=C1CNC(=O)N(CCCl)N=O.Cl
Structure:
CAS RN: 42471-24-9
CAS Name: 1-(2-chloroethyl)-1-nitroso-3-(3-pyridinylmethyl)urea hydrochloride
OPENEYE Name: 1-(2-chloroethyl)-1-nitroso-3-(3-pyridylmethyl)urea hydrochloride
IUPAC Name: 1-(2-chloroethyl)-1-nitroso-3-(pyridin-3-ylmethyl)urea hydrochloride
SYSTEMATIC NAME: 1-(2-chloroethyl)-1-nitroso-3-(pyridin-3-ylmethyl)urea hydrochloride
MOLECULAR FORMULA: C9H12Cl2N4O2
MOLECULAR WEIGHT: 279.12318
SMILES: C1=CC(=CN=C1)CNC(=O)N(CCCl)N=O.Cl
Structure:
CAS RN: 92389-62-3
CAS Name: 2-acetamido-4-methylpentanoic acid; (2-azanidylcyclohexyl)azanide; platinum(2+)
OPENEYE Name: 2-acetamido-4-methyl-pentanoic acid; (2-azanidylcyclohexyl)azanide; platinum(2+)
IUPAC Name: 2-acetamido-4-methylpentanoic acid; (2-azanidylcyclohexyl)azanide; platinum(2+)
SYSTEMATIC NAME: 2-acetamido-4-methyl-pentanoic acid; (2-azanidylcyclohexyl)azanide; platinum(2+)
MOLECULAR FORMULA: C22H42N4O6Pt
MOLECULAR WEIGHT: 653.67008
SMILES: CC(C)CC(C(=O)O)NC(=O)C.CC(C)CC(C(=O)O)NC(=O)C.C1CCC(C(C1)[NH-])[NH-].[Pt+2]
Structure:
CAS RN: 92389-56-5
CAS Name: (2-azanidylcyclohexyl)azanide; benzene-1,2,3-tricarboxylic acid; platinum(2+)
OPENEYE Name: (2-azanidylcyclohexyl)azanide; benzene-1,2,3-tricarboxylic acid; platinum(2+)
IUPAC Name: (2-azanidylcyclohexyl)azanide; benzene-1,2,3-tricarboxylic acid; platinum(2+)
SYSTEMATIC NAME: (2-azanidylcyclohexyl)azanide; benzene-1,2,3-tricarboxylic acid; platinum(2+)
MOLECULAR FORMULA: C15H18N2O6Pt
MOLECULAR WEIGHT: 517.39122
SMILES: C1CCC(C(C1)[NH-])[NH-].C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)O.[Pt+2]
Structure:
CAS RN: 92389-61-2
CAS Name: 2-acetamido-3-methylbutanoic acid; (2-azanidylcyclohexyl)azanide; platinum(2+)
OPENEYE Name: 2-acetamido-3-methyl-butanoic acid; (2-azanidylcyclohexyl)azanide; platinum(2+)
IUPAC Name: 2-acetamido-3-methylbutanoic acid; (2-azanidylcyclohexyl)azanide; platinum(2+)
SYSTEMATIC NAME: 2-acetamido-3-methyl-butanoic acid; (2-azanidylcyclohexyl)azanide; platinum(2+)
MOLECULAR FORMULA: C20H38N4O6Pt
MOLECULAR WEIGHT: 625.61692
SMILES: CC(C)C(C(=O)O)NC(=O)C.CC(C)C(C(=O)O)NC(=O)C.C1CCC(C(C1)[NH-])[NH-].[Pt+2]
Structure:
CAS RN: 57363-13-0
CAS Name: 5-ethyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid; sodium
OPENEYE Name: 5-ethyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid; sodium
IUPAC Name: 5-ethyl-8-oxo-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid; sodium
SYSTEMATIC NAME: 5-ethyl-8-oxidanylidene-2,3-dihydrofuro[2,3-g]quinoline-7-carboxylic acid; sodium
MOLECULAR FORMULA: C14H13NNaO4
MOLECULAR WEIGHT: 282.24709
SMILES: CCN1C=C(C(=O)C2=CC3=C(CCO3)C=C21)C(=O)O.[Na]
Structure:
CAS RN: 72556-87-7
CAS Name: acetic acid; palladium; N-phenylethanimidate; pyridine
OPENEYE Name: acetic acid; palladium; N-phenylethanimidate; pyridine
IUPAC Name: acetic acid; palladium; N-phenylethanimidate; pyridine
SYSTEMATIC NAME: ethanoic acid; palladium; N-phenylethanimidate; pyridine
MOLECULAR FORMULA: C15H17N2O3Pd-
MOLECULAR WEIGHT: 379.72708
SMILES: CC(=NC1=CC=CC=C1)[O-].CC(=O)O.C1=CC=NC=C1.[Pd]
Structure:
CAS RN: 72573-63-8
CAS Name: acetic acid; palladium; N-phenylethanimidate
OPENEYE Name: acetic acid; palladium; N-phenylethanimidate
IUPAC Name: acetic acid; palladium; N-phenylethanimidate
SYSTEMATIC NAME: ethanoic acid; palladium; N-phenylethanimidate
MOLECULAR FORMULA: C20H24N2O6Pd2-2
MOLECULAR WEIGHT: 601.25436
SMILES: CC(=NC1=CC=CC=C1)[O-].CC(=NC1=CC=CC=C1)[O-].CC(=O)O.CC(=O)O.[Pd].[Pd]
Structure:
CAS RN: 89164-71-6
CAS Name: 11-amino-3,6-dihydroxy-1-[[5-hydroxy-6-methyl-4-(4-morpholinyl)-2-oxanyl]oxy]-3-(2-hydroxy-1-oxoethyl)-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride
OPENEYE Name: 11-amino-3,6-dihydroxy-3-(2-hydroxyacetyl)-1-(5-hydroxy-6-methyl-4-morpholino-tetrahydropyran-2-yl)oxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride
IUPAC Name: 11-amino-3,6-dihydroxy-3-(2-hydroxyacetyl)-1-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-10-methoxy-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: 11-azanyl-10-methoxy-1-(6-methyl-4-morpholin-4-yl-5-oxidanyl-oxan-2-yl)oxy-3,6-bis(oxidanyl)-3-(2-oxidanylethanoyl)-2,4-dihydro-1H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C31H37ClN2O11
MOLECULAR WEIGHT: 649.08528
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=O)C4=C(C5=C(C=CC=C5OC)C(=C4C3=O)O)N)(C(=O)CO)O)N6CCOCC6)O.Cl
Structure:
CAS RN: 61145-27-5
CAS Name: 3,3-diazido-6-chloro-1H-quinoline-2,4-dione
OPENEYE Name: 3,3-diazido-6-chloro-1H-quinoline-2,4-dione
IUPAC Name: 3,3-diazido-6-chloro-1H-quinoline-2,4-dione
SYSTEMATIC NAME: 3,3-diazido-6-chloranyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C9H4ClN7O2
MOLECULAR WEIGHT: 277.62676
SMILES: C1=CC2=C(C=C1Cl)C(=O)C(C(=O)N2)(N=[N+]=[N-])N=[N+]=[N-]
Structure:
CAS RN: 91305-94-1
CAS Name: 3,3-diazido-1H-quinoline-2,4-dione
OPENEYE Name: 3,3-diazido-1H-quinoline-2,4-dione
IUPAC Name: 3,3-diazido-1H-quinoline-2,4-dione
SYSTEMATIC NAME: 3,3-diazido-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C9H5N7O2
MOLECULAR WEIGHT: 243.1817
SMILES: C1=CC=C2C(=C1)C(=O)C(C(=O)N2)(N=[N+]=[N-])N=[N+]=[N-]
Structure:
CAS RN: 79084-29-0
CAS Name: benzene-1,2-diolate; N,N-diethylethanamine; germanium
OPENEYE Name: benzene-1,2-diolate; N,N-diethylethanamine; germanium
IUPAC Name: benzene-1,2-diolate; N,N-diethylethanamine; germanium
SYSTEMATIC NAME: benzene-1,2-diolate; N,N-diethylethanamine; germanium
MOLECULAR FORMULA: C24H27GeNO6-6
MOLECULAR WEIGHT: 498.11428
SMILES: CCN(CC)CC.C1=CC=C(C(=C1)[O-])[O-].C1=CC=C(C(=C1)[O-])[O-].C1=CC=C(C(=C1)[O-])[O-].[Ge]
Structure:
CAS RN: 31613-92-0
CAS Name: 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]-8-quinolinol hydrochloride
OPENEYE Name: 5-[1-hydroxy-2-(isopropylamino)ethyl]quinolin-8-ol hydrochloride
IUPAC Name: 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]quinolin-8-ol hydrochloride
SYSTEMATIC NAME: 5-[1-oxidanyl-2-(propan-2-ylamino)ethyl]quinolin-8-ol hydrochloride
MOLECULAR FORMULA: C14H19ClN2O2
MOLECULAR WEIGHT: 282.76586
SMILES: CC(C)NCC(C1=C2C=CC=NC2=C(C=C1)O)O.Cl
Structure:
CAS RN: 89196-04-3
CAS Name: (7S,9S)-6,9,11-trihydroxy-7-[[5-hydroxy-6-methyl-4-(4-morpholinyl)-2-oxanyl]oxy]-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-(5-hydroxy-6-methyl-4-morpholino-tetrahydropyran-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-(5-hydroxy-6-methyl-4-morpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: (7S,9S)-4-methoxy-7-(6-methyl-4-morpholin-4-yl-5-oxidanyl-oxan-2-yl)oxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C31H36ClNO12
MOLECULAR WEIGHT: 650.07004
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(=O)CO)O)N6CCOCC6)O.Cl
Structure:
CAS RN: 77737-88-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H18IN5
MOLECULAR WEIGHT: 371.21999
SMILES: CC1=CN2C(C=C1)N3CC[N+](=C3N4C2=NCC4)C.[I-]
Structure:
CAS RN: 58340-14-0
CAS Name: copper; (6Z)-4-methyl-6-[[2-[[(Z)-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)-phenylmethyl]amino]ethylamino]-phenylmethylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: copper; (6Z)-4-methyl-6-[[2-[[(Z)-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]ethylamino]-phenyl-methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: copper; (6Z)-4-methyl-6-[[2-[[(Z)-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]ethylamino]-phenylmethylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: copper; (6Z)-4-methyl-6-[[2-[[(Z)-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-phenyl-methyl]amino]ethylamino]-phenyl-methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C30H28CuN2O2
MOLECULAR WEIGHT: 512.10152
SMILES: CC1=C/C(=C(/NCCN/C(=C/2\C(=O)C=CC(=C2)C)/C3=CC=CC=C3)\C4=CC=CC=C4)/C(=O)C=C1.[Cu]
Structure:
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