CAS RN: 63992-66-5
CAS Name: [[(Z)-(4-amino-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea
OPENEYE Name: [[(Z)-(4-amino-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
IUPAC Name: [[(Z)-(4-amino-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
SYSTEMATIC NAME: 1-[[(Z)-(4-azanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
MOLECULAR FORMULA: C8H10N4OS
MOLECULAR WEIGHT: 210.2562
SMILES: C1=C/C(=C/NNC(=S)N)/C(=O)C=C1N
Structure:
CAS RN: 63992-63-2
CAS Name: 4-[(2E)-2-[3-bromo-5-[2-[(5Z)-3-bromo-6-oxo-5-[(4-sulfophenyl)hydrazinylidene]-1-cyclohexa-1,3-dienyl]-1,2-dioxoethyl]-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]benzenesulfonic acid
OPENEYE Name: 4-[(2E)-2-[3-bromo-5-[2-[(5Z)-3-bromo-6-oxo-5-[(4-sulfophenyl)hydrazono]cyclohexa-1,3-dien-1-yl]-2-oxo-acetyl]-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]benzenesulfonic acid
IUPAC Name: 4-[(2E)-2-[3-bromo-5-[2-[(5Z)-3-bromo-6-oxo-5-[(4-sulfophenyl)hydrazinylidene]cyclohexa-1,3-dien-1-yl]-2-oxoacetyl]-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[(2E)-2-[3-bromanyl-5-[2-[(5Z)-3-bromanyl-6-oxidanylidene-5-[(4-sulfophenyl)hydrazinylidene]cyclohexa-1,3-dien-1-yl]-2-oxidanylidene-ethanoyl]-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]benzenesulfonic acid
MOLECULAR FORMULA: C26H16Br2N4O10S2
MOLECULAR WEIGHT: 768.36404
SMILES: C1=CC(=CC=C1N/N=C/2\C=C(C=C(C2=O)C(=O)C(=O)C3=CC(=C/C(=N/NC4=CC=C(C=C4)S(=O)(=O)O)/C3=O)Br)Br)S(=O)(=O)O
Structure:
CAS RN: 64346-55-0
CAS Name: (6Z)-6-[[[2-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]cyclohexyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[[[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[[[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[[[2-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]cyclohexyl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H22N2O2
MOLECULAR WEIGHT: 322.40088
SMILES: C1CCC(C(C1)N/C=C/2\C=CC=CC2=O)N/C=C\3/C=CC=CC3=O
Structure:
CAS RN: 87096-84-2
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan
OPENEYE Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(1S)-1-[[(1S)-2-[[(1S)-2-[[(1S,2R)-1-[[2-[[(1S)-2-[[1-benzyl-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-hydroxy-propyl]amin
IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobu
SYSTEMATIC NAME: (2S)-2-(2-azanylethanoylamino)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-
MOLECULAR FORMULA: C52H73N15O12S
MOLECULAR WEIGHT: 1132.29432
SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)CN)O
Structure:
CAS RN: 84872-35-5
CAS Name: 1-methyl-9H-pyrido[3,4-b]indol-3-amine
OPENEYE Name: 1-methyl-9H-pyrido[3,4-b]indol-3-amine
IUPAC Name: 1-methyl-9H-pyrido[3,4-b]indol-3-amine
SYSTEMATIC NAME: 1-methyl-9H-pyrido[3,4-b]indol-3-amine
MOLECULAR FORMULA: C12H11N3
MOLECULAR WEIGHT: 197.23584
SMILES: CC1=C2C(=CC(=N1)N)C3=CC=CC=C3N2
Structure:
CAS RN: 83972-73-0
CAS Name: [(E)-[1-[(3-benzoyl-1-pyridin-1-iumyl)methoxymethyl]-2-pyridinylidene]methyl]-oxoammonium
OPENEYE Name: [(E)-[1-[(3-benzoylpyridin-1-ium-1-yl)methoxymethyl]-2-pyridylidene]methyl]-oxo-ammonium
IUPAC Name: [(E)-[1-[(3-benzoylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium
SYSTEMATIC NAME: oxidanylidene-[(E)-[1-[[3-(phenylcarbonyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-2-ylidene]methyl]azanium
MOLECULAR FORMULA: C20H19N3O3+2
MOLECULAR WEIGHT: 349.38316
SMILES: C1=CC=C(C=C1)C(=O)C2=C[N+](=CC=C2)COCN\3C=CC=C/C3=C\[NH+]=O
Structure:
CAS RN: 76975-04-7
CAS Name: (2R,3R)-3-[[(2S)-2-amino-6-[[[(1S)-5-[(4-amino-1,4-dioxobutyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-1-yl]-oxomethyl]amino]-1-oxohexyl]amino]-2-hydroxy-4-[[(2S)-1-[[(2R,3R)-3-hydroxy-1-[[(2S)-1-[[(3R)-1-hydroxy-2-oxo-3-piperidiny
OPENEYE Name: (2R,3R)-3-[[(2S)-2-amino-6-[[(1S)-5-[(4-amino-4-oxo-butanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]hexanoyl]amino]-2-hydroxy-4-[[(1S)-2-[[(1R,2R)-2-hydroxy-1-[[(1S)-2-[[(3R)-1-hydroxy-2-oxo-3-piperidyl]amino]-1
IUPAC Name: (2R,3R)-3-[[(2S)-2-amino-6-[[(1S)-5-[(4-amino-4-oxobutanoyl)amino]-8-hydroxy-9-oxo-1,2,3,4-tetrahydropyrimido[1,2-a]quinoline-1-carbonyl]amino]hexanoyl]amino]-2-hydroxy-4-[[(2S)-1-[[(2R,3R)-3-hydroxy-1-[[(2S)-1-[[(3R)-1-hydroxy-2-oxopiperidin-3-yl]amino]-
SYSTEMATIC NAME: (2R,3R)-3-[[(2S)-2-azanyl-6-[[(1S)-5-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-8-oxidanyl-9-oxidanylidene-1,2,3,4-tetrahydropyrimido[1,2-a]quinolin-1-yl]carbonylamino]hexanoyl]amino]-2-oxidanyl-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-[[(2R,3R)-3-oxida
MOLECULAR FORMULA: C42H60N12O16
MOLECULAR WEIGHT: 988.9966
SMILES: C[C@H]([C@H](C(=O)N[C@@H](C)C(=O)N[C@@H]1CCCN(C1=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]([C@H](C(=O)O)O)NC(=O)[C@H](CCCCNC(=O)[C@@H]2CCNC3=C(C=C4C=C(C(=O)C=C4N23)O)NC(=O)CCC(=O)N)N)O
Structure:
CAS RN: 55256-49-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H10O6
MOLECULAR WEIGHT: 310.2577
SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4C=CO5)O
Structure:
CAS RN: 10098-97-2
CAS Name: strontium-90
OPENEYE Name: strontium-90
IUPAC Name: strontium-90
SYSTEMATIC NAME: strontium-90
MOLECULAR FORMULA: Sr
MOLECULAR WEIGHT: 89.907738
SMILES: [90Sr]
Structure:
CAS RN: 17834-03-6
CAS Name: 2,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-4-one
OPENEYE Name: 2,7-dihydroxy-3-(3-oxo-1-phenyl-butyl)chromen-4-one
IUPAC Name: 2,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one
SYSTEMATIC NAME: 2,7-bis(oxidanyl)-3-(3-oxidanylidene-1-phenyl-butyl)chromen-4-one
MOLECULAR FORMULA: C19H16O5
MOLECULAR WEIGHT: 324.32734
SMILES: CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=C(C2=O)C=CC(=C3)O)O
Structure:
CAS RN: 482-38-2
CAS Name: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy]chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]chromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-3,7-bis[[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C27H30O14
MOLECULAR WEIGHT: 578.5187
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Structure:
CAS RN: 153504-81-5
CAS Name: 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
OPENEYE Name: 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
IUPAC Name: 6,7-dichloro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SYSTEMATIC NAME: 6,7-bis(chloranyl)-5-nitro-1,4-dihydroquinoxaline-2,3-dione
MOLECULAR FORMULA: C8H3Cl2N3O4
MOLECULAR WEIGHT: 276.03312
SMILES: C1=C2C(=C(C(=C1Cl)Cl)[N+](=O)[O-])NC(=O)C(=O)N2
Structure:
CAS RN: 70649-54-6
CAS Name: manganese(3+); 5,10,15-tris(1-methyl-4-pyridin-1-iumyl)-20-(1-methyl-4-pyridinylidene)porphyrin-22-ide
OPENEYE Name: manganic 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methyl-4-pyridylidene)porphyrin-22-ide
IUPAC Name: manganese(3+); 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide
SYSTEMATIC NAME: manganese(3+); 5,10,15-tris(1-methylpyridin-1-ium-4-yl)-20-(1-methylpyridin-4-ylidene)porphyrin-22-ide
MOLECULAR FORMULA: C44H36MnN8+5
MOLECULAR WEIGHT: 731.748289
SMILES: CN1C=CC(=C2C3=NC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)C=C3)C=C1.[Mn+3]
Structure:
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