CAS RN: 27578-76-3
CAS Name: N-[bis(2-chloroethyl)amino-(2-naphthalenylamino)phosphoryl]-2-naphthalenamine
OPENEYE Name: N-[bis(2-chloroethyl)amino-(2-naphthylamino)phosphoryl]naphthalen-2-amine
IUPAC Name: N-[bis(2-chloroethyl)amino-(naphthalen-2-ylamino)phosphoryl]naphthalen-2-amine
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-(naphthalen-2-ylamino)phosphoryl]naphthalen-2-amine
MOLECULAR FORMULA: C24H24Cl2N3OP
MOLECULAR WEIGHT: 472.346621
SMILES: C1=CC=C2C=C(C=CC2=C1)NP(=O)(NC3=CC4=CC=CC=C4C=C3)N(CCCl)CCCl
Structure:
CAS RN: 33233-44-2
CAS Name: acetic acid 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-yl ester
OPENEYE Name: 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-yl acetate
IUPAC Name: 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-yl acetate
SYSTEMATIC NAME: 6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium-6-yl ethanoate
MOLECULAR FORMULA: C8H11N2O2+
MOLECULAR WEIGHT: 167.18514
SMILES: CC(=O)OC1CN2C=CC=[N+]2C1
Structure:
CAS RN: 18592-34-2
CAS Name: N-[2,4-dioxo-1,3-bis(triphenylmethyl)-5-pyrimidinyl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(2,4-dioxo-1,3-ditrityl-pyrimidin-5-yl)carbamate
IUPAC Name: benzyl N-(2,4-dioxo-1,3-ditritylpyrimidin-5-yl)carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[2,4-bis(oxidanylidene)-1,3-bis(triphenylmethyl)pyrimidin-5-yl]carbamate
MOLECULAR FORMULA: C50H39N3O4
MOLECULAR WEIGHT: 745.86236
SMILES: C1=CC=C(C=C1)COC(=O)NC2=CN(C(=O)N(C2=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8
Structure:
CAS RN: 5093-58-3
CAS Name: 1,1-dimethyl-4-(2,3,4-trimethoxyphenyl)piperazin-1-ium
OPENEYE Name: 1,1-dimethyl-4-(2,3,4-trimethoxyphenyl)piperazin-1-ium
IUPAC Name: 1,1-dimethyl-4-(2,3,4-trimethoxyphenyl)piperazin-1-ium
SYSTEMATIC NAME: 1,1-dimethyl-4-(2,3,4-trimethoxyphenyl)piperazin-1-ium
MOLECULAR FORMULA: C15H25N2O3+
MOLECULAR WEIGHT: 281.3706
SMILES: C[N+]1(CCN(CC1)C2=C(C(=C(C=C2)OC)OC)OC)C
Structure:
CAS RN: 5849-56-9
CAS Name: 4-[[(4-cyanophenyl)-phenylphosphoryl]-phenylphosphoryl]benzonitrile
OPENEYE Name: 4-[[(4-cyanophenyl)-phenyl-phosphoryl]-phenyl-phosphoryl]benzonitrile
IUPAC Name: 4-[[(4-cyanophenyl)-phenylphosphoryl]-phenylphosphoryl]benzonitrile
SYSTEMATIC NAME: 4-[[(4-cyanophenyl)-phenyl-phosphoryl]-phenyl-phosphoryl]benzenecarbonitrile
MOLECULAR FORMULA: C26H18N2O2P2
MOLECULAR WEIGHT: 452.380842
SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)C#N)P(=O)(C3=CC=CC=C3)C4=CC=C(C=C4)C#N
Structure:
CAS RN: 27578-74-1
CAS Name: N-[bis(2-chloroethyl)amino-(4-methoxyanilino)phosphoryl]-4-methoxyaniline
OPENEYE Name: N-[bis(2-chloroethyl)amino-(4-methoxyanilino)phosphoryl]-4-methoxy-aniline
IUPAC Name: N-[bis(2-chloroethyl)amino-(4-methoxyanilino)phosphoryl]-4-methoxyaniline
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-[(4-methoxyphenyl)amino]phosphoryl]-4-methoxy-aniline
MOLECULAR FORMULA: C18H24Cl2N3O3P
MOLECULAR WEIGHT: 432.281221
SMILES: COC1=CC=C(C=C1)NP(=O)(NC2=CC=C(C=C2)OC)N(CCCl)CCCl
Structure:
CAS RN: 13289-18-4
CAS Name: 3-[[3,4-dihydroxy-6-methyl-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,14-dihydroxy-13-methyl-17-(6-oxo-3-pyranyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde
OPENEYE Name: 3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
IUPAC Name: 3-[3,4-dihydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(6-oxopyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
SYSTEMATIC NAME: 3-[5-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-13-methyl-5,14-bis(oxidanyl)-17-(6-oxidanylidenepyran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
MOLECULAR FORMULA: C36H52O15
MOLECULAR WEIGHT: 724.78908
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O
Structure:
CAS RN: 3257-58-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H16O6S
MOLECULAR WEIGHT: 276.30614
SMILES: CC1(OC2C3C(C4COC(O4)(O3)SC)OC2O1)C
Structure:
CAS RN: 1950-03-4
CAS Name: N-[anilino-[bis(2-chloroethyl)amino]phosphoryl]aniline
OPENEYE Name: N-[anilino-[bis(2-chloroethyl)amino]phosphoryl]aniline
IUPAC Name: N-[anilino-[bis(2-chloroethyl)amino]phosphoryl]aniline
SYSTEMATIC NAME: N-[bis(2-chloroethyl)amino-phenylazanyl-phosphoryl]aniline
MOLECULAR FORMULA: C16H20Cl2N3OP
MOLECULAR WEIGHT: 372.229261
SMILES: C1=CC=C(C=C1)NP(=O)(NC2=CC=CC=C2)N(CCCl)CCCl
Structure:
CAS RN: 10287-91-9
CAS Name: N,N-dimethyl-3-(8-thia-3-azaspiro[4.5]decan-3-yl)-1-propanamine
OPENEYE Name: N,N-dimethyl-3-(8-thia-3-azaspiro[4.5]decan-3-yl)propan-1-amine
IUPAC Name: N,N-dimethyl-3-(8-thia-3-azaspiro[4.5]decan-3-yl)propan-1-amine
SYSTEMATIC NAME: N,N-dimethyl-3-(8-thia-3-azaspiro[4.5]decan-3-yl)propan-1-amine
MOLECULAR FORMULA: C13H26N2S
MOLECULAR WEIGHT: 242.42394
SMILES: CN(C)CCCN1CCC2(C1)CCSCC2
Structure:
CAS RN: 698-25-9
CAS Name: 6-chloro-1H-indazole
OPENEYE Name: 6-chloro-1H-indazole
IUPAC Name: 6-chloro-1H-indazole
SYSTEMATIC NAME: 6-chloranyl-1H-indazole
MOLECULAR FORMULA: C7H5ClN2
MOLECULAR WEIGHT: 152.581
SMILES: C1=CC2=C(C=C1Cl)NN=C2
Structure:
CAS RN: 2349-31-7
CAS Name: 2-amino-3-(3-methoxyphenyl)-2-methylpropanoic acid
OPENEYE Name: 2-amino-3-(3-methoxyphenyl)-2-methyl-propanoic acid
IUPAC Name: 2-amino-3-(3-methoxyphenyl)-2-methylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(3-methoxyphenyl)-2-methyl-propanoic acid
MOLECULAR FORMULA: C11H15NO3
MOLECULAR WEIGHT: 209.2417
SMILES: CC(CC1=CC(=CC=C1)OC)(C(=O)O)N
Structure:
CAS RN: 6540-63-2
CAS Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)-1-propanol
OPENEYE Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-ol
IUPAC Name: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-ol
SYSTEMATIC NAME: 2,3-bis(3,7,11,15-tetramethylhexadecoxy)propan-1-ol
MOLECULAR FORMULA: C43H88O3
MOLECULAR WEIGHT: 653.15702
SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C
Structure:
CAS RN: 18472-10-1
CAS Name: 7-amino-5-iodo-8-quinolinol
OPENEYE Name: 7-amino-5-iodo-quinolin-8-ol
IUPAC Name: 7-amino-5-iodoquinolin-8-ol
SYSTEMATIC NAME: 7-azanyl-5-iodanyl-quinolin-8-ol
MOLECULAR FORMULA: C9H7IN2O
MOLECULAR WEIGHT: 286.06915
SMILES: C1=CC2=C(C=C(C(=C2N=C1)O)N)I
Structure:
CAS RN: 18472-07-6
CAS Name: 7-amino-5-fluoro-8-quinolinol
OPENEYE Name: 7-amino-5-fluoro-quinolin-8-ol
IUPAC Name: 7-amino-5-fluoroquinolin-8-ol
SYSTEMATIC NAME: 7-azanyl-5-fluoranyl-quinolin-8-ol
MOLECULAR FORMULA: C9H7FN2O
MOLECULAR WEIGHT: 178.163083
SMILES: C1=CC2=C(C=C(C(=C2N=C1)O)N)F
Structure:
CAS RN: 4907-10-2
CAS Name: 2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol
OPENEYE Name: 2-[1,3-bis[(4-chlorophenyl)methyl]hexahydropyrimidin-2-yl]benzenethiol
IUPAC Name: 2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol
SYSTEMATIC NAME: 2-[1,3-bis[(4-chlorophenyl)methyl]-1,3-diazinan-2-yl]benzenethiol
MOLECULAR FORMULA: C24H24Cl2N2S
MOLECULAR WEIGHT: 443.43176
SMILES: C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3S)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 2901-23-7
CAS Name: 2-phenyl-2-(2-phenylethyl)hexanoic acid ethyl ester
OPENEYE Name: ethyl 2-phenyl-2-(2-phenylethyl)hexanoate
IUPAC Name: ethyl 2-phenyl-2-(2-phenylethyl)hexanoate
SYSTEMATIC NAME: ethyl 2-phenyl-2-(2-phenylethyl)hexanoate
MOLECULAR FORMULA: C22H28O2
MOLECULAR WEIGHT: 324.45652
SMILES: CCCCC(CCC1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC
Structure:
CAS RN: 39775-31-0
CAS Name: 2-(3-methoxycarbonyl-2-pyridinyl)-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 2-(3-methoxycarbonyl-2-pyridyl)pyridine-3-carboxylate
IUPAC Name: methyl 2-(3-methoxycarbonylpyridin-2-yl)pyridine-3-carboxylate
SYSTEMATIC NAME: methyl 2-(3-methoxycarbonylpyridin-2-yl)pyridine-3-carboxylate
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: COC(=O)C1=C(N=CC=C1)C2=C(C=CC=N2)C(=O)OC
Structure:
CAS RN: 5616-93-3
CAS Name: 2-[[2-[[[1-[2-[[2-[[(2-amino-3-hydroxy-4-methylphenyl)-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]-3-methylbutanoic acid
OPENEYE Name: 2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methyl-benzoyl)amino]-3-hydroxy-butanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]-3-methyl-butanoic acid
IUPAC Name: 2-[[2-[[1-[2-[[2-[(2-amino-3-hydroxy-4-methylbenzoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]acetyl]-methylamino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[2-[[1-[2-[[2-[(2-azanyl-4-methyl-3-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoyl]amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C31H48N6O9
MOLECULAR WEIGHT: 648.74762
SMILES: CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)O)N)O
Structure:
CAS RN: 5511-98-8
CAS Name: acetic acid [6-[[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-3-hydroxy-2-methyl-4-oxany
OPENEYE Name: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3-hydroxy-2-methyl
IUPAC Name: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-12,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-3-oxidanyl-oxan
MOLECULAR FORMULA: C43H66O15
MOLECULAR WEIGHT: 822.97514
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O
Structure:
CAS RN: 11018-80-7
CAS Name: acetic acid [6-[[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-3-hydroxy-2-methyl-4-oxany
OPENEYE Name: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3-hydroxy-2-methyl
IUPAC Name: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-12,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-3-oxidanyl-oxan
MOLECULAR FORMULA: C43H66O15
MOLECULAR WEIGHT: 822.97514
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O
Structure:
CAS RN: 1289-54-9
CAS Name: acetic acid [6-[[6-[[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-4-hydroxy-2-methyl-3-oxanyl]oxy]-3-hydroxy-2-methyl-4-oxany
OPENEYE Name: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-4-hydroxy-2-methyl-tetrahydropyran-3-yl]oxy-3-hydroxy-2-methyl
IUPAC Name: [6-[6-[6-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate
SYSTEMATIC NAME: [6-[6-[6-[[10,13-dimethyl-12,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-4-oxidanyl-oxan-3-yl]oxy-2-methyl-3-oxidanyl-oxan
MOLECULAR FORMULA: C43H66O15
MOLECULAR WEIGHT: 822.97514
SMILES: CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O
Structure:
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