CAS RN: 54329-28-1
CAS Name: 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetic acid
OPENEYE Name: 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxo-acetic acid
IUPAC Name: 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C9H9N3O3
MOLECULAR WEIGHT: 207.18606
SMILES: CC1=C(NC(=C1C#N)NC(=O)C(=O)O)C
Structure:
CAS RN: 61588-07-6
CAS Name: 4'-(1-piperidinyl)-2'-spiro[1,3-dithiane-2,3'-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran]one
OPENEYE Name: 4'-(1-piperidyl)spiro[1,3-dithiane-2,3'-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran]-2'-one
IUPAC Name: 4'-piperidin-1-ylspiro[1,3-dithiane-2,3'-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran]-2'-one
SYSTEMATIC NAME: 4'-piperidin-1-ylspiro[1,3-dithiane-2,3'-4,5,6,7,8,9-hexahydrocyclohepta[b]pyran]-2'-one
MOLECULAR FORMULA: C18H27NO2S2
MOLECULAR WEIGHT: 353.54248
SMILES: C1CCC2=C(CC1)OC(=O)C3(C2N4CCCCC4)SCCCS3
Structure:
CAS RN: 61588-04-3
CAS Name: 4'-(1-piperidinyl)-2'-spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-1-benzopyran]one
OPENEYE Name: 4'-(1-piperidyl)spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
IUPAC Name: 4'-piperidin-1-ylspiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
SYSTEMATIC NAME: 4'-piperidin-1-ylspiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
MOLECULAR FORMULA: C17H25NO2S2
MOLECULAR WEIGHT: 339.5159
SMILES: C1CCN(CC1)C2C3=C(CCCC3)OC(=O)C24SCCCS4
Structure:
CAS RN: 67587-21-7
CAS Name: 2-tetradecynoic acid methyl ester
OPENEYE Name: methyl tetradec-2-ynoate
IUPAC Name: methyl tetradec-2-ynoate
SYSTEMATIC NAME: methyl tetradec-2-ynoate
MOLECULAR FORMULA: C15H26O2
MOLECULAR WEIGHT: 238.36574
SMILES: CCCCCCCCCCCC#CC(=O)OC
Structure:
CAS RN: 67587-19-3
CAS Name: 2-tetradecynoic acid
OPENEYE Name: tetradec-2-ynoic acid
IUPAC Name: tetradec-2-ynoic acid
SYSTEMATIC NAME: tetradec-2-ynoic acid
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: CCCCCCCCCCCC#CC(=O)O
Structure:
CAS RN: 10522-19-7
CAS Name: 2-dodecynoic acid methyl ester
OPENEYE Name: methyl dodec-2-ynoate
IUPAC Name: methyl dodec-2-ynoate
SYSTEMATIC NAME: methyl dodec-2-ynoate
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CCCCCCCCCC#CC(=O)OC
Structure:
CAS RN: 67587-18-2
CAS Name: 2-dodecynoic acid
OPENEYE Name: dodec-2-ynoic acid
IUPAC Name: dodec-2-ynoic acid
SYSTEMATIC NAME: dodec-2-ynoic acid
MOLECULAR FORMULA: C12H20O2
MOLECULAR WEIGHT: 196.286
SMILES: CCCCCCCCCC#CC(=O)O
Structure:
CAS RN: 54299-08-0
CAS Name: 2-undecynoic acid
OPENEYE Name: undec-2-ynoic acid
IUPAC Name: undec-2-ynoic acid
SYSTEMATIC NAME: undec-2-ynoic acid
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CCCCCCCCC#CC(=O)O
Structure:
CAS RN: 67587-20-6
CAS Name: 2-decynoic acid methyl ester
OPENEYE Name: methyl dec-2-ynoate
IUPAC Name: methyl dec-2-ynoate
SYSTEMATIC NAME: methyl dec-2-ynoate
MOLECULAR FORMULA: C11H18O2
MOLECULAR WEIGHT: 182.25942
SMILES: CCCCCCCC#CC(=O)OC
Structure:
CAS RN: 1851-90-7
CAS Name: 2-decynoic acid
OPENEYE Name: dec-2-ynoic acid
IUPAC Name: dec-2-ynoic acid
SYSTEMATIC NAME: dec-2-ynoic acid
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CCCCCCCC#CC(=O)O
Structure:
CAS RN: 764-33-0
CAS Name: 2-hexynoic acid
OPENEYE Name: hex-2-ynoic acid
IUPAC Name: hex-2-ynoic acid
SYSTEMATIC NAME: hex-2-ynoic acid
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: CCCC#CC(=O)O
Structure:
CAS RN: 5963-77-9
CAS Name: 2-pentynoic acid
OPENEYE Name: pent-2-ynoic acid
IUPAC Name: pent-2-ynoic acid
SYSTEMATIC NAME: pent-2-ynoic acid
MOLECULAR FORMULA: C5H6O2
MOLECULAR WEIGHT: 98.09994
SMILES: CCC#CC(=O)O
Structure:
CAS RN: 7743-51-3
CAS Name: 7-acetyl-6-hydroxy-3,4,5-trimethyl-3H-benzofuran-2-one
OPENEYE Name: 7-acetyl-6-hydroxy-3,4,5-trimethyl-3H-benzofuran-2-one
IUPAC Name: 7-acetyl-6-hydroxy-3,4,5-trimethyl-3H-1-benzofuran-2-one
SYSTEMATIC NAME: 7-ethanoyl-3,4,5-trimethyl-6-oxidanyl-3H-1-benzofuran-2-one
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: CC1C2=C(C(=C(C(=C2OC1=O)C(=O)C)O)C)C
Structure:
CAS RN: 52128-28-6
CAS Name: N-(6-chloro-2-naphthalenyl)-N-[(2,4-diamino-6-quinazolinyl)methyl]formamide
OPENEYE Name: N-(6-chloro-2-naphthyl)-N-[(2,4-diaminoquinazolin-6-yl)methyl]formamide
IUPAC Name: N-(6-chloronaphthalen-2-yl)-N-[(2,4-diaminoquinazolin-6-yl)methyl]formamide
SYSTEMATIC NAME: N-[[2,4-bis(azanyl)quinazolin-6-yl]methyl]-N-(6-chloranylnaphthalen-2-yl)methanamide
MOLECULAR FORMULA: C20H16ClN5O
MOLECULAR WEIGHT: 377.82694
SMILES: C1=CC2=C(C=C1CN(C=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=NC(=N2)N)N
Structure:
CAS RN: 52128-12-8
CAS Name: acetic acid; 6-[[(6-chloro-2-naphthalenyl)amino]methyl]quinazoline-2,4-diamine
OPENEYE Name: acetic acid; 6-[[(6-chloro-2-naphthyl)amino]methyl]quinazoline-2,4-diamine
IUPAC Name: acetic acid; 6-[[(6-chloronaphthalen-2-yl)amino]methyl]quinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[(6-chloranylnaphthalen-2-yl)amino]methyl]quinazoline-2,4-diamine; ethanoic acid
MOLECULAR FORMULA: C21H20ClN5O2
MOLECULAR WEIGHT: 409.8688
SMILES: CC(=O)O.C1=CC2=C(C=C1CNC3=CC4=C(C=C3)C=C(C=C4)Cl)C(=NC(=N2)N)N
Structure:
CAS RN: 52128-42-4
CAS Name: acetic acid; 6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine
OPENEYE Name: acetic acid; 6-[(3-bromoanilino)methyl]-5-chloro-quinazoline-2,4-diamine
IUPAC Name: acetic acid; 6-[(3-bromoanilino)methyl]-5-chloroquinazoline-2,4-diamine
SYSTEMATIC NAME: 6-[[(3-bromophenyl)amino]methyl]-5-chloranyl-quinazoline-2,4-diamine; ethanoic acid
MOLECULAR FORMULA: C17H17BrClN5O2
MOLECULAR WEIGHT: 438.70618
SMILES: CC(=O)O.C1=CC(=CC(=C1)Br)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl
Structure:
CAS RN: 76532-25-7
CAS Name: N6-methyl-N6-(9-phenanthrenylmethyl)pteridine-2,4,6-triamine
OPENEYE Name: N6-methyl-N6-(9-phenanthrylmethyl)pteridine-2,4,6-triamine
IUPAC Name: 6-N-methyl-6-N-(phenanthren-9-ylmethyl)pteridine-2,4,6-triamine
SYSTEMATIC NAME: N6-methyl-N6-(phenanthren-9-ylmethyl)pteridine-2,4,6-triamine
MOLECULAR FORMULA: C22H19N7
MOLECULAR WEIGHT: 381.43316
SMILES: CN(CC1=CC2=CC=CC=C2C3=CC=CC=C31)C4=CN=C5C(=N4)C(=NC(=N5)N)N
Structure:
CAS RN: 76532-19-9
CAS Name: N6-methyl-N6-[(3,4,5-trimethoxyphenyl)methyl]pteridine-2,4,6-triamine
OPENEYE Name: N6-methyl-N6-[(3,4,5-trimethoxyphenyl)methyl]pteridine-2,4,6-triamine
IUPAC Name: 6-N-methyl-6-N-[(3,4,5-trimethoxyphenyl)methyl]pteridine-2,4,6-triamine
SYSTEMATIC NAME: N6-methyl-N6-[(3,4,5-trimethoxyphenyl)methyl]pteridine-2,4,6-triamine
MOLECULAR FORMULA: C17H21N7O3
MOLECULAR WEIGHT: 371.39374
SMILES: CN(CC1=CC(=C(C(=C1)OC)OC)OC)C2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 76551-40-1
CAS Name: N6-[(4-fluorophenyl)methyl]-N6-methylpteridine-2,4,6-triamine
OPENEYE Name: N6-[(4-fluorophenyl)methyl]-N6-methyl-pteridine-2,4,6-triamine
IUPAC Name: 6-N-[(4-fluorophenyl)methyl]-6-N-methylpteridine-2,4,6-triamine
SYSTEMATIC NAME: N6-[(4-fluorophenyl)methyl]-N6-methyl-pteridine-2,4,6-triamine
MOLECULAR FORMULA: C14H14FN7
MOLECULAR WEIGHT: 299.306263
SMILES: CN(CC1=CC=C(C=C1)F)C2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 77900-97-1
CAS Name: 6-[(4-methoxyphenyl)thio]pteridine-2,4-diamine
OPENEYE Name: 6-(4-methoxyphenyl)sulfanylpteridine-2,4-diamine
IUPAC Name: 6-(4-methoxyphenyl)sulfanylpteridine-2,4-diamine
SYSTEMATIC NAME: 6-(4-methoxyphenyl)sulfanylpteridine-2,4-diamine
MOLECULAR FORMULA: C13H12N6OS
MOLECULAR WEIGHT: 300.33898
SMILES: COC1=CC=C(C=C1)SC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 77900-94-8
CAS Name: 6-[(2,4,5-trichlorophenyl)thio]pteridine-2,4-diamine
OPENEYE Name: 6-(2,4,5-trichlorophenyl)sulfanylpteridine-2,4-diamine
IUPAC Name: 6-(2,4,5-trichlorophenyl)sulfanylpteridine-2,4-diamine
SYSTEMATIC NAME: 6-[2,4,5-tris(chloranyl)phenyl]sulfanylpteridine-2,4-diamine
MOLECULAR FORMULA: C12H7Cl3N6S
MOLECULAR WEIGHT: 373.64818
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)SC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 77900-98-2
CAS Name: 6-(1-naphthalenylthio)pteridine-2,4-diamine
OPENEYE Name: 6-(1-naphthylsulfanyl)pteridine-2,4-diamine
IUPAC Name: 6-naphthalen-1-ylsulfanylpteridine-2,4-diamine
SYSTEMATIC NAME: 6-naphthalen-1-ylsulfanylpteridine-2,4-diamine
MOLECULAR FORMULA: C16H12N6S
MOLECULAR WEIGHT: 320.37168
SMILES: C1=CC=C2C(=C1)C=CC=C2SC3=CN=C4C(=N3)C(=NC(=N4)N)N
Structure:
CAS RN: 69827-81-2
CAS Name: 2-[[[4-[2-(2-amino-4-oxo-1H-quinazolin-6-yl)ethyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[2-(2-amino-4-oxo-1H-quinazolin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[2-(2-amino-4-oxo-1H-quinazolin-6-yl)ethyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[2-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)ethyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C22H22N4O6
MOLECULAR WEIGHT: 438.43328
SMILES: C1=CC(=CC=C1CCC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 64088-74-0
CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylthio]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylsulfanyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylsulfanyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H20N4O6S
MOLECULAR WEIGHT: 456.4717
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)SCC2=CC3=C(C=C2)NC(=NC3=O)N
Structure:
CAS RN: 61075-41-0
CAS Name: 2-[[[4-[(2,4-diamino-6-quinazolinyl)methyl-formylamino]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[(2,4-diaminoquinazolin-6-yl)methyl-formyl-amino]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[(2,4-diaminoquinazolin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[2,4-bis(azanyl)quinazolin-6-yl]methyl-methanoyl-amino]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C22H22N6O6
MOLECULAR WEIGHT: 466.44668
SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N(CC2=CC3=C(C=C2)N=C(N=C3N)N)C=O
Structure:
CAS RN: 58677-09-1
CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate
IUPAC Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C26H31N5O6
MOLECULAR WEIGHT: 509.55424
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CC3=C(C=C2)NC(=NC3=O)N
Structure:
CAS RN: 27069-81-4
CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioate
IUPAC Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C25H29N5O6
MOLECULAR WEIGHT: 495.52766
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)NC(=NC3=O)N
Structure:
CAS RN: 56239-20-4
CAS Name: 2-[[[4-[[(2,4-diamino-6-quinazolinyl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
IUPAC Name: diethyl 2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioate
SYSTEMATIC NAME: diethyl 2-[[4-[[[2,4-bis(azanyl)quinazolin-6-yl]amino]methyl]phenyl]carbonylamino]pentanedioate
MOLECULAR FORMULA: C25H30N6O5
MOLECULAR WEIGHT: 494.5429
SMILES: CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=CC3=C(C=C2)N=C(N=C3N)N
Structure:
CAS RN: 56239-21-5
CAS Name: 2-[[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[[(2-amino-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H21N5O6
MOLECULAR WEIGHT: 439.42134
SMILES: C1=CC(=CC=C1CNC2=CC3=C(C=C2)NC(=NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 56239-22-6
CAS Name: 2-[[[4-[[(2,4-diamino-6-quinazolinyl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[[(2,4-diaminoquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[[2,4-bis(azanyl)quinazolin-6-yl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C21H22N6O5
MOLECULAR WEIGHT: 438.43658
SMILES: C1=CC(=CC=C1CNC2=CC3=C(C=C2)N=C(N=C3N)N)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 56277-34-0
CAS Name: 2-[[[4-[[(2,4-diamino-5-methyl-6-quinazolinyl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[[(2,4-diamino-5-methyl-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[[(2,4-diamino-5-methylquinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[[2,4-bis(azanyl)-5-methyl-quinazolin-6-yl]amino]methyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C22H24N6O5
MOLECULAR WEIGHT: 452.46316
SMILES: CC1=C(C=CC2=C1C(=NC(=N2)N)N)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 56277-35-1
CAS Name: 2-[[[4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]phenyl]-oxomethyl]amino]pentanedioic acid
OPENEYE Name: 2-[[4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
IUPAC Name: 2-[[4-[[(2-amino-5-methyl-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: 2-[[4-[[(2-azanyl-5-methyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C22H23N5O6
MOLECULAR WEIGHT: 453.44792
SMILES: CC1=C(C=CC2=C1C(=O)N=C(N2)N)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
Structure:
CAS RN: 61588-06-5
CAS Name: 4'-(N-methylanilino)-2'-spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-1-benzopyran]one
OPENEYE Name: 4'-(N-methylanilino)spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
IUPAC Name: 4'-(N-methylanilino)spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
SYSTEMATIC NAME: 4'-[methyl(phenyl)amino]spiro[1,3-dithiane-2,3'-5,6,7,8-tetrahydro-4H-chromene]-2'-one
MOLECULAR FORMULA: C19H23NO2S2
MOLECULAR WEIGHT: 361.52142
SMILES: CN(C1C2=C(CCCC2)OC(=O)C13SCCCS3)C4=CC=CC=C4
Structure:
CAS RN: 61547-40-8
CAS Name: 3-(2-acetyloxyphenyl)-2-propynoic acid
OPENEYE Name: 3-(2-acetoxyphenyl)prop-2-ynoic acid
IUPAC Name: 3-(2-acetyloxyphenyl)prop-2-ynoic acid
SYSTEMATIC NAME: 3-(2-acetyloxyphenyl)prop-2-ynoic acid
MOLECULAR FORMULA: C11H8O4
MOLECULAR WEIGHT: 204.17882
SMILES: CC(=O)OC1=CC=CC=C1C#CC(=O)O
Structure:
CAS RN: 24927-50-2
CAS Name: 2-(hydroxymethyl)-1-phenyl-1-cyclohexanol
OPENEYE Name: 2-(hydroxymethyl)-1-phenyl-cyclohexanol
IUPAC Name: 2-(hydroxymethyl)-1-phenylcyclohexan-1-ol
SYSTEMATIC NAME: 2-(hydroxymethyl)-1-phenyl-cyclohexan-1-ol
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: C1CCC(C(C1)CO)(C2=CC=CC=C2)O
Structure:
CAS RN: 94385-43-0
CAS Name: 4-methylbenzenesulfonic acid (2-phenylcyclohexyl) ester
OPENEYE Name: (2-phenylcyclohexyl) 4-methylbenzenesulfonate
IUPAC Name: (2-phenylcyclohexyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (2-phenylcyclohexyl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C19H22O3S
MOLECULAR WEIGHT: 330.44118
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC=CC=C3
Structure:
CAS RN: 4664-73-7
CAS Name: 1-chloro-N-phenyl-1-cyclohexanecarboxamide
OPENEYE Name: 1-chloro-N-phenyl-cyclohexanecarboxamide
IUPAC Name: 1-chloro-N-phenylcyclohexane-1-carboxamide
SYSTEMATIC NAME: 1-chloranyl-N-phenyl-cyclohexane-1-carboxamide
MOLECULAR FORMULA: C13H16ClNO
MOLECULAR WEIGHT: 237.72524
SMILES: C1CCC(CC1)(C(=O)NC2=CC=CC=C2)Cl
Structure:
CAS RN: 4664-70-4
CAS Name: cyclohexyl-[4-(dimethylamino)phenyl]methanone
OPENEYE Name: cyclohexyl-[4-(dimethylamino)phenyl]methanone
IUPAC Name: cyclohexyl-[4-(dimethylamino)phenyl]methanone
SYSTEMATIC NAME: cyclohexyl-[4-(dimethylamino)phenyl]methanone
MOLECULAR FORMULA: C15H21NO
MOLECULAR WEIGHT: 231.33334
SMILES: CN(C)C1=CC=C(C=C1)C(=O)C2CCCCC2
Structure:
CAS RN: 7055-27-8
CAS Name: [4-(dimethylamino)phenyl]-(3,3-dimethylcyclohexyl)methanone
OPENEYE Name: [4-(dimethylamino)phenyl]-(3,3-dimethylcyclohexyl)methanone
IUPAC Name: [4-(dimethylamino)phenyl]-(3,3-dimethylcyclohexyl)methanone
SYSTEMATIC NAME: [4-(dimethylamino)phenyl]-(3,3-dimethylcyclohexyl)methanone
MOLECULAR FORMULA: C17H25NO
MOLECULAR WEIGHT: 259.3865
SMILES: CC1(CCCC(C1)C(=O)C2=CC=C(C=C2)N(C)C)C
Structure:
CAS RN: 2152-51-4
CAS Name: 5-(2-hydroxypropyl)-5-phenyl-1,3-diazinane-2,4-dione
OPENEYE Name: 5-(2-hydroxypropyl)-5-phenyl-hexahydropyrimidine-2,4-dione
IUPAC Name: 5-(2-hydroxypropyl)-5-phenyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 5-(2-oxidanylpropyl)-5-phenyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CC(CC1(CNC(=O)NC1=O)C2=CC=CC=C2)O
Structure:
CAS RN: 33841-18-8
CAS Name: 5-(2-hydroxypropyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-(2-hydroxypropyl)-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-(2-hydroxypropyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(2-oxidanylpropyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C12H20N2O4
MOLECULAR WEIGHT: 256.2982
SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC(C)O
Structure:
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