CAS RN: 22660-69-1
CAS Name: acetic acid (7-hydroxy-8a-methyl-3,5-dimethylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-6-yl) ester
OPENEYE Name: (7-hydroxy-8a-methyl-3,5-dimethylene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-6-yl) acetate
IUPAC Name: (7-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-6-yl) acetate
SYSTEMATIC NAME: (8a-methyl-3,5-dimethylidene-7-oxidanyl-2-oxidanylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-6-yl) ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: CC(=O)OC1C(CC2(CC3C(CC2C1=C)C(=C)C(=O)O3)C)O
Structure:
CAS RN: 22850-59-5
CAS Name: 6,7-dihydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
OPENEYE Name: 6,7-dihydroxy-8a-methyl-3,5-dimethylene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f]benzofuran-2-one
IUPAC Name: 6,7-dihydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
SYSTEMATIC NAME: 8a-methyl-3,5-dimethylidene-6,7-bis(oxidanyl)-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC12CC(C(C(=C)C1CC3C(C2)OC(=O)C3=C)O)O
Structure:
CAS RN: 41823-07-8
CAS Name: 3-hydroxy-2-phenylpropanethioic acid S-phenyl ester
OPENEYE Name: S-phenyl 3-hydroxy-2-phenyl-propanethioate
IUPAC Name: S-phenyl 3-hydroxy-2-phenylpropanethioate
SYSTEMATIC NAME: S-phenyl 3-oxidanyl-2-phenyl-propanethioate
MOLECULAR FORMULA: C15H14O2S
MOLECULAR WEIGHT: 258.33546
SMILES: C1=CC=C(C=C1)C(CO)C(=O)SC2=CC=CC=C2
Structure:
CAS RN: 54934-22-4
CAS Name: 3,3-diphenyl-2-oxiranecarbothioic acid S-phenyl ester
OPENEYE Name: S-phenyl 3,3-diphenyloxirane-2-carbothioate
IUPAC Name: S-phenyl 3,3-diphenyloxirane-2-carbothioate
SYSTEMATIC NAME: S-phenyl 3,3-diphenyloxirane-2-carbothioate
MOLECULAR FORMULA: C21H16O2S
MOLECULAR WEIGHT: 332.41554
SMILES: C1=CC=C(C=C1)C2(C(O2)C(=O)SC3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 54912-92-4
CAS Name: 1-tert-butyl-2-aziridinecarbothioic acid S-phenyl ester
OPENEYE Name: S-phenyl 1-tert-butylaziridine-2-carbothioate
IUPAC Name: S-phenyl 1-tert-butylaziridine-2-carbothioate
SYSTEMATIC NAME: S-phenyl 1-tert-butylaziridine-2-carbothioate
MOLECULAR FORMULA: C13H17NOS
MOLECULAR WEIGHT: 235.34518
SMILES: CC(C)(C)N1CC1C(=O)SC2=CC=CC=C2
Structure:
CAS RN: 13884-99-6
CAS Name: 2-oxopropanethioic acid S-phenyl ester
OPENEYE Name: S-phenyl 2-oxopropanethioate
IUPAC Name: S-phenyl 2-oxopropanethioate
SYSTEMATIC NAME: S-phenyl 2-oxidanylidenepropanethioate
MOLECULAR FORMULA: C9H8O2S
MOLECULAR WEIGHT: 180.22362
SMILES: CC(=O)C(=O)SC1=CC=CC=C1
Structure:
CAS RN: 1606-78-6
CAS Name: 4-(3-chloro-2-hydroxypropoxy)-2-butyn-1-ol
OPENEYE Name: 4-(3-chloro-2-hydroxy-propoxy)but-2-yn-1-ol
IUPAC Name: 4-(3-chloro-2-hydroxypropoxy)but-2-yn-1-ol
SYSTEMATIC NAME: 4-(3-chloranyl-2-oxidanyl-propoxy)but-2-yn-1-ol
MOLECULAR FORMULA: C7H11ClO3
MOLECULAR WEIGHT: 178.61344
SMILES: C(C#CCOCC(CCl)O)O
Structure:
CAS RN: 57963-58-3
CAS Name: 6-[(phenylthio)methyl]pteridine-2,4-diamine
OPENEYE Name: 6-(phenylsulfanylmethyl)pteridine-2,4-diamine
IUPAC Name: 6-(phenylsulfanylmethyl)pteridine-2,4-diamine
SYSTEMATIC NAME: 6-(phenylsulfanylmethyl)pteridine-2,4-diamine
MOLECULAR FORMULA: C13H12N6S
MOLECULAR WEIGHT: 284.33958
SMILES: C1=CC=C(C=C1)SCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 57963-46-9
CAS Name: 6-[(4-chloroanilino)methyl]pteridine-2,4-diamine
OPENEYE Name: 6-[(4-chloroanilino)methyl]pteridine-2,4-diamine
IUPAC Name: 6-[(4-chloroanilino)methyl]pteridine-2,4-diamine
SYSTEMATIC NAME: 6-[[(4-chlorophenyl)amino]methyl]pteridine-2,4-diamine
MOLECULAR FORMULA: C13H12ClN7
MOLECULAR WEIGHT: 301.73428
SMILES: C1=CC(=CC=C1NCC2=CN=C3C(=N2)C(=NC(=N3)N)N)Cl
Structure:
CAS RN: 57963-51-6
CAS Name: 6-[(2-phenylethylamino)methyl]pteridine-2,4-diamine
OPENEYE Name: 6-[(2-phenylethylamino)methyl]pteridine-2,4-diamine
IUPAC Name: 6-[(2-phenylethylamino)methyl]pteridine-2,4-diamine
SYSTEMATIC NAME: 6-[(2-phenylethylamino)methyl]pteridine-2,4-diamine
MOLECULAR FORMULA: C15H17N7
MOLECULAR WEIGHT: 295.34238
SMILES: C1=CC=C(C=C1)CCNCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 55583-61-4
CAS Name: 2-[[[4-[(2-amino-4-hydrazinyl-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2-amino-4-hydrazino-pteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2-amino-4-hydrazinylpteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[(2-azanyl-4-diazanyl-pteridin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H23N9O5
MOLECULAR WEIGHT: 469.45392
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)NN)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 61137-63-1
CAS Name: 1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitrosourea
OPENEYE Name: 1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitroso-urea
IUPAC Name: 1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitrosourea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[(1R,3R)-3-methylcyclohexyl]-1-nitroso-urea
MOLECULAR FORMULA: C10H18ClN3O2
MOLECULAR WEIGHT: 247.72182
SMILES: C[C@@H]1CCC[C@H](C1)NC(=O)N(CCCl)N=O
Structure:
CAS RN: 34761-57-4
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[chloro(methoxy)phosphoryl]ethanamine
OPENEYE Name: 2-chloro-N-(2-chloroethyl)-N-[chloro(methoxy)phosphoryl]ethanamine
IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-[chloro(methoxy)phosphoryl]ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-[chloranyl(methoxy)phosphoryl]-N-(2-chloroethyl)ethanamine
MOLECULAR FORMULA: C5H11Cl3NO2P
MOLECULAR WEIGHT: 254.479101
SMILES: COP(=O)(N(CCCl)CCCl)Cl
Structure:
CAS RN: 60106-97-0
CAS Name: N-[bis(2-chloroethyl)amino-chlorophosphoryl]-2-chloroethanamine
OPENEYE Name: N-[bis(2-chloroethyl)amino-chloro-phosphoryl]-2-chloro-ethanamine
IUPAC Name: N-[bis(2-chloroethyl)amino-chlorophosphoryl]-2-chloroethanamine
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-chloranyl-phosphoryl]-2-chloranyl-ethanamine
MOLECULAR FORMULA: C6H13Cl4N2OP
MOLECULAR WEIGHT: 301.965981
SMILES: C(CCl)NP(=O)(N(CCCl)CCCl)Cl
Structure:
CAS RN: 4336-46-3
CAS Name: 1-(diaminomethylidene)-3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]urea; 2,4,6-trinitrophenol
OPENEYE Name: 1-(diaminomethylene)-3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]urea; picric acid
IUPAC Name: 1-(diaminomethylidene)-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea; 2,4,6-trinitrophenol
SYSTEMATIC NAME: 1-[bis(azanyl)methylidene]-3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]urea; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C13H17N7O12
MOLECULAR WEIGHT: 463.31378
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-].C(C1C(C(C(O1)NC(=O)N=C(N)N)O)O)O
Structure:
CAS RN: 30084-12-9
CAS Name: N2-(2-phenylethyl)-6-undecyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: N2-(2-phenylethyl)-6-undecyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 2-N-(2-phenylethyl)-6-undecyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: N2-(2-phenylethyl)-6-undecyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C22H35N5
MOLECULAR WEIGHT: 369.5468
SMILES: CCCCCCCCCCCC1=NC(=NC(=N1)NCCC2=CC=CC=C2)N
Structure:
CAS RN: 66709-70-4
CAS Name: 6-decyl-N2-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-decyl-N2-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-decyl-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-decyl-N2-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C21H33N5
MOLECULAR WEIGHT: 355.52022
SMILES: CCCCCCCCCCC1=NC(=NC(=N1)NCCC2=CC=CC=C2)N
Structure:
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