CAS RN: 7471-61-6
CAS Name: [6-(4-morpholinyl)-7H-purin-2-yl]hydrazine
OPENEYE Name: (6-morpholino-7H-purin-2-yl)hydrazine
IUPAC Name: (6-morpholin-4-yl-7H-purin-2-yl)hydrazine
SYSTEMATIC NAME: (6-morpholin-4-yl-7H-purin-2-yl)diazane
MOLECULAR FORMULA: C9H13N7O
MOLECULAR WEIGHT: 235.24582
SMILES: C1COCCN1C2=NC(=NC3=C2NC=N3)NN
Structure:
CAS RN: 21319-03-9
CAS Name: 4-[oxo-[2-[[(6-oxo-3,7-dihydropurin-8-yl)thio]methyl]anilino]methyl]benzenesulfonyl fluoride
OPENEYE Name: 4-[[2-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
IUPAC Name: 4-[[2-[(6-oxo-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 4-[[2-[(6-oxidanylidene-3,7-dihydropurin-8-yl)sulfanylmethyl]phenyl]carbamoyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C19H14FN5O4S2
MOLECULAR WEIGHT: 459.473963
SMILES: C1=CC=C(C(=C1)CSC2=NC3=C(N2)C(=O)N=CN3)NC(=O)C4=CC=C(C=C4)S(=O)(=O)F
Structure:
CAS RN: 7511-42-4
CAS Name: 2-amino-6-(3,4-dimethylanilino)-1H-pyrimidine-4-thione
OPENEYE Name: 2-amino-6-(3,4-dimethylanilino)-1H-pyrimidine-4-thione
IUPAC Name: 2-amino-6-(3,4-dimethylanilino)-1H-pyrimidine-4-thione
SYSTEMATIC NAME: 2-azanyl-6-[(3,4-dimethylphenyl)amino]-1H-pyrimidine-4-thione
MOLECULAR FORMULA: C12H14N4S
MOLECULAR WEIGHT: 246.33136
SMILES: CC1=C(C=C(C=C1)NC2=CC(=S)N=C(N2)N)C
Structure:
CAS RN: 58554-30-6
CAS Name: N-[(benzenecarbonothioylamino)-oxomethyl]-1-naphthalenecarboxamide
OPENEYE Name: N-(benzenecarbonothioylcarbamoyl)naphthalene-1-carboxamide
IUPAC Name: N-(benzenecarbonothioylcarbamoyl)naphthalene-1-carboxamide
SYSTEMATIC NAME: N-(benzenecarbonothioylcarbamoyl)naphthalene-1-carboxamide
MOLECULAR FORMULA: C19H14N2O2S
MOLECULAR WEIGHT: 334.39166
SMILES: C1=CC=C(C=C1)C(=S)NC(=O)NC(=O)C2=CC=CC3=CC=CC=C32
Structure:
CAS RN: 57610-05-6
CAS Name: N-[1-[5-(azidomethyl)-3,4-dihydroxy-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide
OPENEYE Name: N-[1-[5-(azidomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
IUPAC Name: N-[1-[5-(azidomethyl)-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[1-[5-(azidomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C16H16N6O5
MOLECULAR WEIGHT: 372.33544
SMILES: C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)C3C(C(C(O3)CN=[N+]=[N-])O)O
Structure:
CAS RN: 58554-23-7
CAS Name: N-[[[(4-bromophenyl)-sulfanylidenemethyl]amino]-oxomethyl]-4-methylbenzamide
OPENEYE Name: N-[(4-bromobenzenecarbothioyl)carbamoyl]-4-methyl-benzamide
IUPAC Name: N-[(4-bromobenzenecarbothioyl)carbamoyl]-4-methylbenzamide
SYSTEMATIC NAME: N-[(4-bromophenyl)carbothioylcarbamoyl]-4-methyl-benzamide
MOLECULAR FORMULA: C16H13BrN2O2S
MOLECULAR WEIGHT: 377.25562
SMILES: CC1=CC=C(C=C1)C(=O)NC(=O)NC(=S)C2=CC=C(C=C2)Br
Structure:
CAS RN: 64510-98-1
CAS Name: 4-[(4-methoxyphenyl)methylideneamino]benzenecarbothioamide
OPENEYE Name: 4-[(4-methoxyphenyl)methyleneamino]benzenecarbothioamide
IUPAC Name: 4-[(4-methoxyphenyl)methylideneamino]benzenecarbothioamide
SYSTEMATIC NAME: 4-[(4-methoxyphenyl)methylideneamino]benzenecarbothioamide
MOLECULAR FORMULA: C15H14N2OS
MOLECULAR WEIGHT: 270.34946
SMILES: COC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C(=S)N
Structure:
CAS RN: 62432-97-7
CAS Name: 2,2-dimethyl-4-(4-morpholinyl)-1,3-dihydropyridine-6-thione
OPENEYE Name: 2,2-dimethyl-4-morpholino-1,3-dihydropyridine-6-thione
IUPAC Name: 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione
SYSTEMATIC NAME: 2,2-dimethyl-4-morpholin-4-yl-1,3-dihydropyridine-6-thione
MOLECULAR FORMULA: C11H18N2OS
MOLECULAR WEIGHT: 226.33842
SMILES: CC1(CC(=CC(=S)N1)N2CCOCC2)C
Structure:
CAS RN: 20366-94-3
CAS Name: 2-chloro-6-ethoxy-7H-purine
OPENEYE Name: 2-chloro-6-ethoxy-7H-purine
IUPAC Name: 2-chloro-6-ethoxy-7H-purine
SYSTEMATIC NAME: 2-chloranyl-6-ethoxy-7H-purine
MOLECULAR FORMULA: C7H7ClN4O
MOLECULAR WEIGHT: 198.60968
SMILES: CCOC1=NC(=NC2=C1NC=N2)Cl
Structure:
CAS RN: 75863-54-6
CAS Name: 1-diazonio-4-[3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]-1-buten-2-olate
OPENEYE Name: 1-diazonio-4-[3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]but-1-en-2-olate
IUPAC Name: 1-diazonio-4-[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]but-1-en-2-olate
SYSTEMATIC NAME: 1-diazonio-4-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]but-1-en-2-olate
MOLECULAR FORMULA: C13H16N4O5
MOLECULAR WEIGHT: 308.28994
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CCC(=C[N+]#N)[O-])O
Structure:
CAS RN: 7292-59-3
CAS Name: 9-[5-[phenoxy(sulfanylidene)methoxy]pentyl]-3H-purine-6-thione
OPENEYE Name: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione
IUPAC Name: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione
SYSTEMATIC NAME: 9-(5-phenoxycarbothioyloxypentyl)-3H-purine-6-thione
MOLECULAR FORMULA: C17H18N4O2S2
MOLECULAR WEIGHT: 374.48042
SMILES: C1=CC=C(C=C1)OC(=S)OCCCCCN2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 264218-23-7
CAS Name: 3-(3-chloro-4-hydroxyanilino)-4-(2-nitrophenyl)pyrrole-2,5-dione
OPENEYE Name: 3-(3-chloro-4-hydroxy-anilino)-4-(2-nitrophenyl)pyrrole-2,5-dione
IUPAC Name: 3-(3-chloro-4-hydroxyanilino)-4-(2-nitrophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 3-[(3-chloranyl-4-oxidanyl-phenyl)amino]-4-(2-nitrophenyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C16H10ClN3O5
MOLECULAR WEIGHT: 359.7207
SMILES: C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)O)Cl)[N+](=O)[O-]
Structure:
CAS RN: 53290-19-0
CAS Name: 4-amino-2-nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide
OPENEYE Name: 4-amino-2-nitro-N-[4-(4-pyridylamino)phenyl]benzamide
IUPAC Name: 4-amino-2-nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide
SYSTEMATIC NAME: 4-azanyl-2-nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide
MOLECULAR FORMULA: C18H15N5O3
MOLECULAR WEIGHT: 349.3434
SMILES: C1=CC(=CC=C1NC2=CC=NC=C2)NC(=O)C3=C(C=C(C=C3)N)[N+](=O)[O-]
Structure:
CAS RN: 7236-57-9
CAS Name: 1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
IUPAC Name: 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C10H14N2O4S
MOLECULAR WEIGHT: 258.29416
SMILES: CC1=CN(C(=O)NC1=S)C2CC(C(O2)CO)O
Structure:
CAS RN: 6314-20-1
CAS Name: 7-amino-1H-thiazolo[5,4-d]pyrimidine-2-thione
OPENEYE Name: 7-amino-1H-thiazolo[5,4-d]pyrimidine-2-thione
IUPAC Name: 7-amino-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione
SYSTEMATIC NAME: 7-azanyl-1H-[1,3]thiazolo[5,4-d]pyrimidine-2-thione
MOLECULAR FORMULA: C5H4N4S2
MOLECULAR WEIGHT: 184.24206
SMILES: C1=NC(=C2C(=N1)SC(=S)N2)N
Structure:
CAS RN: 7410-52-8
CAS Name: (3-methylbutan-2-ylideneamino)thiourea
OPENEYE Name: (1,2-dimethylpropylideneamino)thiourea
IUPAC Name: (3-methylbutan-2-ylideneamino)thiourea
SYSTEMATIC NAME: 1-(3-methylbutan-2-ylideneamino)thiourea
MOLECULAR FORMULA: C6H13N3S
MOLECULAR WEIGHT: 159.25252
SMILES: CC(C)C(=NNC(=S)N)C
Structure:
CAS RN: 6960-29-8
CAS Name: (5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)thiourea
OPENEYE Name: (5-hydroxy-2,4,6-trioxo-hexahydropyrimidin-5-yl)thiourea
IUPAC Name: (5-hydroxy-2,4,6-trioxo-1,3-diazinan-5-yl)thiourea
SYSTEMATIC NAME: 1-[5-oxidanyl-2,4,6-tris(oxidanylidene)-1,3-diazinan-5-yl]thiourea
MOLECULAR FORMULA: C5H6N4O4S
MOLECULAR WEIGHT: 218.19054
SMILES: C1(=O)C(C(=O)NC(=O)N1)(NC(=S)N)O
Structure:
CAS RN: 61210-35-3
CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-hydroxy-4-imino-5-pyrrolo[2,3-d]pyrimidinecarbonitrile
OPENEYE Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-hydroxy-4-imino-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-4-iminopyrrolo[2,3-d]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-azanylidene-7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-oxidanyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C12H13N5O5
MOLECULAR WEIGHT: 307.26212
SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN(C2=N)O)C#N
Structure:
CAS RN: 90773-36-7
CAS Name: 7-amino-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5-thione
OPENEYE Name: 7-amino-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5-thione
IUPAC Name: 7-amino-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5-thione
SYSTEMATIC NAME: 7-azanyl-3H-[1,2,5]thiadiazolo[3,4-d]pyrimidine-5-thione
MOLECULAR FORMULA: C4H3N5S2
MOLECULAR WEIGHT: 185.23012
SMILES: C12=NSNC1=NC(=S)N=C2N
Structure:
CAS RN: 14494-69-0
CAS Name: 8-hydroxy-5-quinolinesulfonate; zinc
OPENEYE Name: 8-hydroxyquinoline-5-sulfonate; zinc
IUPAC Name: 8-hydroxyquinoline-5-sulfonate; zinc
SYSTEMATIC NAME: 8-oxidanylquinoline-5-sulfonate; zinc
MOLECULAR FORMULA: C18H12N2O8S2Zn-2
MOLECULAR WEIGHT: 513.83548
SMILES: C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)[O-].[Zn]
Structure:
CAS RN: 21108-82-7
CAS Name: 3-methyl-1-imidazol-3-iumsulfonate
OPENEYE Name: 3-methylimidazol-3-ium-1-sulfonate
IUPAC Name: 3-methylimidazol-3-ium-1-sulfonate
SYSTEMATIC NAME: 3-methylimidazol-3-ium-1-sulfonate
MOLECULAR FORMULA: C4H6N2O3S
MOLECULAR WEIGHT: 162.16704
SMILES: C[N+]1=CN(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 17139-67-2
CAS Name: 2,6-dihydroxy-1,5-dinitroanthracene-9,10-dione
OPENEYE Name: 2,6-dihydroxy-1,5-dinitro-anthracene-9,10-dione
IUPAC Name: 2,6-dihydroxy-1,5-dinitroanthracene-9,10-dione
SYSTEMATIC NAME: 1,5-dinitro-2,6-bis(oxidanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H6N2O8
MOLECULAR WEIGHT: 330.20604
SMILES: C1=CC(=C(C2=C1C(=O)C3=C(C2=O)C=CC(=C3[N+](=O)[O-])O)[N+](=O)[O-])O
Structure:
CAS RN: 7461-93-0
CAS Name: N'-(2,4-dinitrophenyl)-2-methylpropanehydrazide
OPENEYE Name: N'-(2,4-dinitrophenyl)-2-methyl-propanehydrazide
IUPAC Name: N'-(2,4-dinitrophenyl)-2-methylpropanehydrazide
SYSTEMATIC NAME: N'-(2,4-dinitrophenyl)-2-methyl-propanehydrazide
MOLECULAR FORMULA: C10H12N4O5
MOLECULAR WEIGHT: 268.22608
SMILES: CC(C)C(=O)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7702-65-0
CAS Name: 5,8-dihydropyrimido[4,5-d]pyrimidin-2-amine
OPENEYE Name: 5,8-dihydropyrimido[4,5-d]pyrimidin-2-amine
IUPAC Name: 5,8-dihydropyrimido[4,5-d]pyrimidin-2-amine
SYSTEMATIC NAME: 5,8-dihydropyrimido[4,5-d]pyrimidin-2-amine
MOLECULAR FORMULA: C6H7N5
MOLECULAR WEIGHT: 149.15328
SMILES: C1C2=CN=C(N=C2NC=N1)N
Structure:
CAS RN: 28506-41-4
CAS Name: 5-(4-methoxyphenyl)-3,4-diphenyl-1H-pyridazine-6-thione
OPENEYE Name: 5-(4-methoxyphenyl)-3,4-diphenyl-1H-pyridazine-6-thione
IUPAC Name: 5-(4-methoxyphenyl)-3,4-diphenyl-1H-pyridazine-6-thione
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-3,4-diphenyl-1H-pyridazine-6-thione
MOLECULAR FORMULA: C23H18N2OS
MOLECULAR WEIGHT: 370.46682
SMILES: COC1=CC=C(C=C1)C2=C(C(=NNC2=S)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 14257-40-0
CAS Name: acetic acid (3,4,5-triacetyloxy-6-chloro-2-oxanyl)methyl ester
OPENEYE Name: (3,4,5-triacetoxy-6-chloro-tetrahydropyran-2-yl)methyl acetate
IUPAC Name: (3,4,5-triacetyloxy-6-chlorooxan-2-yl)methyl acetate
SYSTEMATIC NAME: (3,4,5-triacetyloxy-6-chloranyl-oxan-2-yl)methyl ethanoate
MOLECULAR FORMULA: C14H19ClO9
MOLECULAR WEIGHT: 366.74826
SMILES: CC(=O)OCC1C(C(C(C(O1)Cl)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
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