CAS RN: 85665-60-7
CAS Name: 3-tert-butyl-5-(hydroxymethyl)-2-oxazolidinone
OPENEYE Name: 3-tert-butyl-5-(hydroxymethyl)oxazolidin-2-one
IUPAC Name: 3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-tert-butyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C8H15NO3
MOLECULAR WEIGHT: 173.2096
SMILES: CC(C)(C)N1CC(OC1=O)CO
Structure:
CAS RN: 35179-55-6
CAS Name: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
OPENEYE Name: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
IUPAC Name: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
SYSTEMATIC NAME: 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
MOLECULAR FORMULA: C8H9F3N2
MOLECULAR WEIGHT: 190.16567
SMILES: C1CCC2=C(C1)C(=NN2)C(F)(F)F
Structure:
CAS RN: 5156-89-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H24O4S4
MOLECULAR WEIGHT: 420.63006
SMILES: COC(=O)C12CCC3(C(C1)(CCC24SCCS4)C(=O)OC)SCCS3
Structure:
CAS RN: 73109-39-4
CAS Name: 2-(methylthio)-4H-thiazolo[5,4-d]pyrimidine-5,7-dithione
OPENEYE Name: 2-methylsulfanyl-4H-thiazolo[5,4-d]pyrimidine-5,7-dithione
IUPAC Name: 2-methylsulfanyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dithione
SYSTEMATIC NAME: 2-methylsulfanyl-4H-[1,3]thiazolo[5,4-d]pyrimidine-5,7-dithione
MOLECULAR FORMULA: C6H5N3S4
MOLECULAR WEIGHT: 247.384
SMILES: CSC1=NC2=C(S1)NC(=S)NC2=S
Structure:
CAS RN: 52868-63-0
CAS Name: 5-amino-2-sulfanylidene-3H-thiazole-4-carboxamide
OPENEYE Name: 5-amino-2-thioxo-3H-thiazole-4-carboxamide
IUPAC Name: 5-amino-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
SYSTEMATIC NAME: 5-azanyl-2-sulfanylidene-3H-1,3-thiazole-4-carboxamide
MOLECULAR FORMULA: C4H5N3OS2
MOLECULAR WEIGHT: 175.232
SMILES: C1(=C(SC(=S)N1)N)C(=O)N
Structure:
CAS RN: 27089-56-1
CAS Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-3-sulfanylidene-1,2,4-triazin-5-one
OPENEYE Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-thioxo-1,2,4-triazin-5-one
IUPAC Name: 2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-sulfanylidene-1,2,4-triazin-5-one
SYSTEMATIC NAME: 2-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-sulfanylidene-1,2,4-triazin-5-one
MOLECULAR FORMULA: C8H11N3O5S
MOLECULAR WEIGHT: 261.25504
SMILES: C1=NN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
Structure:
CAS RN: 14565-47-0
CAS Name: dodecanoic acid (2,5-dioxo-1-pyrrolidinyl) ester
OPENEYE Name: (2,5-dioxopyrrolidin-1-yl) dodecanoate
IUPAC Name: (2,5-dioxopyrrolidin-1-yl) dodecanoate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] dodecanoate
MOLECULAR FORMULA: C16H27NO4
MOLECULAR WEIGHT: 297.38988
SMILES: CCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
Structure:
CAS RN: 5351-71-3
CAS Name: (1-thiophen-2-ylethylideneamino)thiourea
OPENEYE Name: [1-(2-thienyl)ethylideneamino]thiourea
IUPAC Name: (1-thiophen-2-ylethylideneamino)thiourea
SYSTEMATIC NAME: 1-(1-thiophen-2-ylethylideneamino)thiourea
MOLECULAR FORMULA: C7H9N3S2
MOLECULAR WEIGHT: 199.29646
SMILES: CC(=NNC(=S)N)C1=CC=CS1
Structure:
CAS RN: 31796-55-1
CAS Name: (2S)-2-amino-N-(4-nitrophenyl)propanamide hydrochloride
OPENEYE Name: (2S)-2-amino-N-(4-nitrophenyl)propanamide hydrochloride
IUPAC Name: (2S)-2-amino-N-(4-nitrophenyl)propanamide hydrochloride
SYSTEMATIC NAME: (2S)-2-azanyl-N-(4-nitrophenyl)propanamide hydrochloride
MOLECULAR FORMULA: C9H12ClN3O3
MOLECULAR WEIGHT: 245.66288
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N.Cl
Structure:
CAS RN: 41036-32-2
CAS Name: (2R)-2-aminopropanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid
OPENEYE Name: benzyl (2R)-2-aminopropanoate; 4-methylbenzenesulfonic acid
IUPAC Name: benzyl (2R)-2-aminopropanoate; 4-methylbenzenesulfonic acid
SYSTEMATIC NAME: 4-methylbenzenesulfonic acid; (phenylmethyl) (2R)-2-azanylpropanoate
MOLECULAR FORMULA: C17H21NO5S
MOLECULAR WEIGHT: 351.41734
SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C[C@H](C(=O)OCC1=CC=CC=C1)N
Structure:
CAS RN: 23121-37-1
CAS Name: N-(4-bromophenyl)carbamodithioic acid methyl ester
OPENEYE Name: methyl N-(4-bromophenyl)carbamodithioate
IUPAC Name: methyl N-(4-bromophenyl)carbamodithioate
SYSTEMATIC NAME: methyl N-(4-bromophenyl)carbamodithioate
MOLECULAR FORMULA: C8H8BrNS2
MOLECULAR WEIGHT: 262.18982
SMILES: CSC(=S)NC1=CC=C(C=C1)Br
Structure:
CAS RN: 4743-19-5
CAS Name: 2,8-dimethyl-N-[(phenylmethylene)amino]-3-imidazo[1,2-a]pyridinecarboxamide
OPENEYE Name: N-(benzylideneamino)-2,8-dimethyl-imidazo[1,2-a]pyridine-3-carboxamide
IUPAC Name: N-(benzylideneamino)-2,8-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SYSTEMATIC NAME: 2,8-dimethyl-N-[(phenylmethylidene)amino]imidazo[1,2-a]pyridine-3-carboxamide
MOLECULAR FORMULA: C17H16N4O
MOLECULAR WEIGHT: 292.33514
SMILES: CC1=CC=CN2C1=NC(=C2C(=O)NN=CC3=CC=CC=C3)C
Structure:
CAS RN: 5571-83-5
CAS Name: 5-methyl-N-(2-methylphenyl)-4,5-dihydrothiazol-2-amine
OPENEYE Name: 5-methyl-N-(o-tolyl)-4,5-dihydrothiazol-2-amine
IUPAC Name: 5-methyl-N-(2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-methyl-N-(2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
MOLECULAR FORMULA: C11H14N2S
MOLECULAR WEIGHT: 206.30726
SMILES: CC1CN=C(S1)NC2=CC=CC=C2C
Structure:
CAS RN: 125605-97-2
CAS Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]butanedioic acid
OPENEYE Name: 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid
IUPAC Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid
SYSTEMATIC NAME: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]butanedioic acid
MOLECULAR FORMULA: C6H6N2O4S3
MOLECULAR WEIGHT: 266.31784
SMILES: C(C(C(=O)O)SC1=NNC(=S)S1)C(=O)O
Structure:
CAS RN: 253607-91-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H12F2O3
MOLECULAR WEIGHT: 254.229386
SMILES: C1C2C3C4C1C5C2C6C3C4C5(O6)C(C(=O)O)(F)F
Structure:
CAS RN: 29401-60-3
CAS Name: 2-sulfanylidene-3H-1,3-benzothiazole-6-sulfonic acid
OPENEYE Name: 2-thioxo-3H-1,3-benzothiazole-6-sulfonic acid
IUPAC Name: 2-sulfanylidene-3H-1,3-benzothiazole-6-sulfonic acid
SYSTEMATIC NAME: 2-sulfanylidene-3H-1,3-benzothiazole-6-sulfonic acid
MOLECULAR FORMULA: C7H5NO3S3
MOLECULAR WEIGHT: 247.3145
SMILES: C1=CC2=C(C=C1S(=O)(=O)O)SC(=S)N2
Structure:
CAS RN: 40944-05-6
CAS Name: 1-phenoxy-3-(1-piperazinyl)-2-propanol
OPENEYE Name: 1-phenoxy-3-piperazin-1-yl-propan-2-ol
IUPAC Name: 1-phenoxy-3-piperazin-1-ylpropan-2-ol
SYSTEMATIC NAME: 1-phenoxy-3-piperazin-1-yl-propan-2-ol
MOLECULAR FORMULA: C13H20N2O2
MOLECULAR WEIGHT: 236.3101
SMILES: C1CN(CCN1)CC(COC2=CC=CC=C2)O
Structure:
CAS RN: 16758-34-2
CAS Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(phenylthio)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyl-tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16O5S
MOLECULAR WEIGHT: 272.31744
SMILES: C1=CC=C(C=C1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 130446-04-7
CAS Name: 2,2-dimethylpropanoic acid [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-methylsulfonyloxy-2-oxolanyl]methyl ester
OPENEYE Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate
IUPAC Name: [(2R,3S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: [(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-methylsulfonyloxy-oxolan-2-yl]methyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C16H24N2O8S
MOLECULAR WEIGHT: 404.43536
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C(C)(C)C)OS(=O)(=O)C
Structure:
CAS RN: 347411-88-5
CAS Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxy-3-oxanyl]acetamide
OPENEYE Name: N-[(2S,3R,4R,5S,6R)-2-benzyloxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]acetamide
SYSTEMATIC NAME: N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-phenylmethoxy-oxan-3-yl]ethanamide
MOLECULAR FORMULA: C15H21NO6
MOLECULAR WEIGHT: 311.33034
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)CO)O)O
Structure:
CAS RN: 82118-18-1
CAS Name: carbamimidothioic acid (5-nitro-2-furanyl)methyl ester hydrobromide
OPENEYE Name: 2-[(5-nitro-2-furyl)methyl]isothiourea hydrobromide
IUPAC Name: (5-nitrofuran-2-yl)methyl carbamimidothioate hydrobromide
SYSTEMATIC NAME: (5-nitrofuran-2-yl)methyl carbamimidothioate hydrobromide
MOLECULAR FORMULA: C6H8BrN3O3S
MOLECULAR WEIGHT: 282.11502
SMILES: C1=C(OC(=C1)[N+](=O)[O-])CSC(=N)N.Br
Structure:
CAS RN: 932-49-0
CAS Name: 1-(2-hydroxyethyl)-2-imidazolidinethione
OPENEYE Name: 1-(2-hydroxyethyl)imidazolidine-2-thione
IUPAC Name: 1-(2-hydroxyethyl)imidazolidine-2-thione
SYSTEMATIC NAME: 1-(2-hydroxyethyl)imidazolidine-2-thione
MOLECULAR FORMULA: C5H10N2OS
MOLECULAR WEIGHT: 146.2107
SMILES: C1CN(C(=S)N1)CCO
Structure:
CAS RN: 50354-65-9
CAS Name: 1-(2-hydroxyethyl)-2-imidazolidinethione
OPENEYE Name: 1-(2-hydroxyethyl)imidazolidine-2-thione
IUPAC Name: 1-(2-hydroxyethyl)imidazolidine-2-thione
SYSTEMATIC NAME: 1-(2-hydroxyethyl)imidazolidine-2-thione
MOLECULAR FORMULA: C5H10N2OS
MOLECULAR WEIGHT: 146.2107
SMILES: C1CN(C(=S)N1)CCO
Structure:
CAS RN: 39508-00-4
CAS Name: N-aminocarbamic acid 2-(3,5-dimethoxyphenyl)propan-2-yl ester
OPENEYE Name: [1-(3,5-dimethoxyphenyl)-1-methyl-ethyl] N-aminocarbamate
IUPAC Name: 2-(3,5-dimethoxyphenyl)propan-2-yl N-aminocarbamate
SYSTEMATIC NAME: 2-(3,5-dimethoxyphenyl)propan-2-yl N-azanylcarbamate
MOLECULAR FORMULA: C12H18N2O4
MOLECULAR WEIGHT: 254.28232
SMILES: CC(C)(C1=CC(=CC(=C1)OC)OC)OC(=O)NN
Structure:
CAS RN: 90604-02-7
CAS Name: 1-(diphenylmethyl)-3-azetidinol hydrochloride
OPENEYE Name: 1-benzhydrylazetidin-3-ol hydrochloride
IUPAC Name: 1-benzhydrylazetidin-3-ol hydrochloride
SYSTEMATIC NAME: 1-(diphenylmethyl)azetidin-3-ol hydrochloride
MOLECULAR FORMULA: C16H18ClNO
MOLECULAR WEIGHT: 275.77322
SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)O.Cl
Structure:
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