CAS RN: 32371-92-9
CAS Name: 3-(acetylthio)-2-chloropropanoic acid methyl ester
OPENEYE Name: methyl 3-acetylsulfanyl-2-chloro-propanoate
IUPAC Name: methyl 3-acetylsulfanyl-2-chloropropanoate
SYSTEMATIC NAME: methyl 2-chloranyl-3-ethanoylsulfanyl-propanoate
MOLECULAR FORMULA: C6H9ClO3S
MOLECULAR WEIGHT: 196.65186
SMILES: CC(=O)SCC(C(=O)OC)Cl
Structure:
CAS RN: 13201-92-8
CAS Name: 1,3-bis(ethoxymethyl)urea
OPENEYE Name: 1,3-bis(ethoxymethyl)urea
IUPAC Name: 1,3-bis(ethoxymethyl)urea
SYSTEMATIC NAME: 1,3-bis(ethoxymethyl)urea
MOLECULAR FORMULA: C7H16N2O3
MOLECULAR WEIGHT: 176.21354
SMILES: CCOCNC(=O)NCOCC
Structure:
CAS RN: 4220-66-0
CAS Name: 4,4-dimethoxybutanoic acid methyl ester
OPENEYE Name: methyl 4,4-dimethoxybutanoate
IUPAC Name: methyl 4,4-dimethoxybutanoate
SYSTEMATIC NAME: methyl 4,4-dimethoxybutanoate
MOLECULAR FORMULA: C7H14O4
MOLECULAR WEIGHT: 162.18366
SMILES: COC(CCC(=O)OC)OC
Structure:
CAS RN: 93904-16-6
CAS Name: cyclohexane-1,4-disulfonic acid diphenyl ester
OPENEYE Name: diphenyl cyclohexane-1,4-disulfonate
IUPAC Name: diphenyl cyclohexane-1,4-disulfonate
SYSTEMATIC NAME: diphenyl cyclohexane-1,4-disulfonate
MOLECULAR FORMULA: C18H20O6S2
MOLECULAR WEIGHT: 396.4778
SMILES: C1CC(CCC1S(=O)(=O)OC2=CC=CC=C2)S(=O)(=O)OC3=CC=CC=C3
Structure:
CAS RN: 64598-03-4
CAS Name: 2-(1-benzotriazolyl)butanedioic acid
OPENEYE Name: 2-(benzotriazol-1-yl)butanedioic acid
IUPAC Name: 2-(benzotriazol-1-yl)butanedioic acid
SYSTEMATIC NAME: 2-(benzotriazol-1-yl)butanedioic acid
MOLECULAR FORMULA: C10H9N3O4
MOLECULAR WEIGHT: 235.19616
SMILES: C1=CC=C2C(=C1)N=NN2C(CC(=O)O)C(=O)O
Structure:
CAS RN: 90090-61-2
CAS Name: 2-isocyanatopentanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-isocyanatopentanedioate
IUPAC Name: dimethyl 2-isocyanatopentanedioate
SYSTEMATIC NAME: dimethyl 2-isocyanatopentanedioate
MOLECULAR FORMULA: C8H11NO5
MOLECULAR WEIGHT: 201.17664
SMILES: COC(=O)CCC(C(=O)OC)N=C=O
Structure:
CAS RN: 13484-60-1
CAS Name: [3,4-dihydroxy-5-(9-purinyl)-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: (3,4-dihydroxy-5-purin-9-yl-tetrahydrofuran-2-yl)methyl dihydrogen phosphate
IUPAC Name: (3,4-dihydroxy-5-purin-9-yloxolan-2-yl)methyl dihydrogen phosphate
SYSTEMATIC NAME: [3,4-bis(oxidanyl)-5-purin-9-yl-oxolan-2-yl]methyl dihydrogen phosphate
MOLECULAR FORMULA: C10H13N4O7P
MOLECULAR WEIGHT: 332.206581
SMILES: C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
Structure:
CAS RN: 52388-98-4
CAS Name: N-(5-chloro-2-methoxyphenyl)azo-N-methylmethanamine
OPENEYE Name: N-(5-chloro-2-methoxy-phenyl)azo-N-methyl-methanamine
IUPAC Name: N-[(5-chloro-2-methoxyphenyl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[(5-chloranyl-2-methoxy-phenyl)diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C9H12ClN3O
MOLECULAR WEIGHT: 213.66408
SMILES: CN(C)N=NC1=C(C=CC(=C1)Cl)OC
Structure:
CAS RN: 1009-57-0
CAS Name: 1-(5-amino-4-nitro-2-thiophenyl)ethanone
OPENEYE Name: 1-(5-amino-4-nitro-2-thienyl)ethanone
IUPAC Name: 1-(5-amino-4-nitrothiophen-2-yl)ethanone
SYSTEMATIC NAME: 1-(5-azanyl-4-nitro-thiophen-2-yl)ethanone
MOLECULAR FORMULA: C6H6N2O3S
MOLECULAR WEIGHT: 186.18844
SMILES: CC(=O)C1=CC(=C(S1)N)[N+](=O)[O-]
Structure:
CAS RN: 51584-21-5
CAS Name: 2,5-dichloro-3,4-dinitrothiophene
OPENEYE Name: 2,5-dichloro-3,4-dinitro-thiophene
IUPAC Name: 2,5-dichloro-3,4-dinitrothiophene
SYSTEMATIC NAME: 2,5-bis(chloranyl)-3,4-dinitro-thiophene
MOLECULAR FORMULA: C4Cl2N2O4S
MOLECULAR WEIGHT: 243.0248
SMILES: C1(=C(SC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 36130-47-9
CAS Name: N,N-bis(cyanomethyl)dodecanamide
OPENEYE Name: N,N-bis(cyanomethyl)dodecanamide
IUPAC Name: N,N-bis(cyanomethyl)dodecanamide
SYSTEMATIC NAME: N,N-bis(cyanomethyl)dodecanamide
MOLECULAR FORMULA: C16H27N3O
MOLECULAR WEIGHT: 277.40508
SMILES: CCCCCCCCCCCC(=O)N(CC#N)CC#N
Structure:
CAS RN: 25979-00-4
CAS Name: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
OPENEYE Name: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
IUPAC Name: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C3H3F3N4
MOLECULAR WEIGHT: 152.07793
SMILES: C1(=NC(=NN1)N)C(F)(F)F
Structure:
CAS RN: 5253-82-7
CAS Name: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
OPENEYE Name: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
IUPAC Name: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
SYSTEMATIC NAME: 5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
MOLECULAR FORMULA: C3H3F3N4
MOLECULAR WEIGHT: 152.07793
SMILES: C1(=NC(=NN1)N)C(F)(F)F
Structure:
CAS RN: 5261-18-7
CAS Name: 3-ethyl-2-oxazolidinone
OPENEYE Name: 3-ethyloxazolidin-2-one
IUPAC Name: 3-ethyl-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 3-ethyl-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: CCN1CCOC1=O
Structure:
CAS RN: 17938-99-7
CAS Name: 5-(diethylaminomethyl)-2-oxazolidinone
OPENEYE Name: 5-(diethylaminomethyl)oxazolidin-2-one
IUPAC Name: 5-(diethylaminomethyl)-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-(diethylaminomethyl)-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CCN(CC)CC1CNC(=O)O1
Structure:
CAS RN: 5316-68-7
CAS Name: 2-(ethylthio)-4-methylthiazole
OPENEYE Name: 2-ethylsulfanyl-4-methyl-thiazole
IUPAC Name: 2-ethylsulfanyl-4-methyl-1,3-thiazole
SYSTEMATIC NAME: 2-ethylsulfanyl-4-methyl-1,3-thiazole
MOLECULAR FORMULA: C6H9NS2
MOLECULAR WEIGHT: 159.27236
SMILES: CCSC1=NC(=CS1)C
Structure:
CAS RN: 2665-02-3
CAS Name: 2,2,2-trifluoroacetic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-trifluoroacetate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,2-tris(fluoranyl)ethanoate
MOLECULAR FORMULA: C29H45F3O2
MOLECULAR WEIGHT: 482.66161
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C(F)(F)F)C)C
Structure:
CAS RN: 52388-76-8
CAS Name: N-(2-methoxy-5-nitrophenyl)azo-N-methylmethanamine
OPENEYE Name: N-(2-methoxy-5-nitro-phenyl)azo-N-methyl-methanamine
IUPAC Name: N-[(2-methoxy-5-nitrophenyl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[(2-methoxy-5-nitro-phenyl)diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C9H12N4O3
MOLECULAR WEIGHT: 224.21658
SMILES: CN(C)N=NC1=C(C=CC(=C1)[N+](=O)[O-])OC
Structure:
CAS RN: 7203-93-2
CAS Name: N-(4-ethoxyphenyl)azo-N-methylmethanamine
OPENEYE Name: N-(4-ethoxyphenyl)azo-N-methyl-methanamine
IUPAC Name: N-[(4-ethoxyphenyl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[(4-ethoxyphenyl)diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C10H15N3O
MOLECULAR WEIGHT: 193.2456
SMILES: CCOC1=CC=C(C=C1)N=NN(C)C
Structure:
CAS RN: 52416-27-0
CAS Name: N-(3-ethoxyphenyl)azo-N-methylmethanamine
OPENEYE Name: N-(3-ethoxyphenyl)azo-N-methyl-methanamine
IUPAC Name: N-[(3-ethoxyphenyl)diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[(3-ethoxyphenyl)diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C10H15N3O
MOLECULAR WEIGHT: 193.2456
SMILES: CCOC1=CC=CC(=C1)N=NN(C)C
Structure:
CAS RN: 31221-68-8
CAS Name: 2,6-dichloro-5-nitro-4-pyrimidinamine
OPENEYE Name: 2,6-dichloro-5-nitro-pyrimidin-4-amine
IUPAC Name: 2,6-dichloro-5-nitropyrimidin-4-amine
SYSTEMATIC NAME: 2,6-bis(chloranyl)-5-nitro-pyrimidin-4-amine
MOLECULAR FORMULA: C4H2Cl2N4O2
MOLECULAR WEIGHT: 208.99028
SMILES: C1(=C(N=C(N=C1Cl)Cl)N)[N+](=O)[O-]
Structure:
CAS RN: 16888-00-9
CAS Name: N2,N4,N8-trimethylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
OPENEYE Name: N2,N4,N8-trimethylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
IUPAC Name: 2-N,4-N,8-N-trimethylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
SYSTEMATIC NAME: N2,N4,N8-trimethylpyrimido[5,4-d]pyrimidine-2,4,8-triamine
MOLECULAR FORMULA: C9H13N7
MOLECULAR WEIGHT: 219.24642
SMILES: CNC1=NC(=NC2=C1N=CN=C2NC)NC
Structure:
CAS RN: 68030-12-6
CAS Name: 4-[2-(4-morpholinyl)-4,8-bis(1-piperidinyl)-6-pyrimido[5,4-d]pyrimidinyl]morpholine
OPENEYE Name: 4-[2-morpholino-4,8-bis(1-piperidyl)pyrimido[5,4-d]pyrimidin-6-yl]morpholine
IUPAC Name: 4-[2-morpholin-4-yl-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]morpholine
SYSTEMATIC NAME: 4-[2-morpholin-4-yl-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]morpholine
MOLECULAR FORMULA: C24H36N8O2
MOLECULAR WEIGHT: 468.59504
SMILES: C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N5CCOCC5)N6CCOCC6
Structure:
CAS RN: 28753-34-6
CAS Name: 2,4,6,8-tetrakis(1-piperidinyl)pyrimido[5,4-d]pyrimidine
OPENEYE Name: 2,4,6,8-tetrakis(1-piperidyl)pyrimido[5,4-d]pyrimidine
IUPAC Name: 2,4,6,8-tetra(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
SYSTEMATIC NAME: 2,4,6,8-tetra(piperidin-1-yl)pyrimido[5,4-d]pyrimidine
MOLECULAR FORMULA: C26H40N8
MOLECULAR WEIGHT: 464.6494
SMILES: C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N5CCCCC5)N6CCCCC6
Structure:
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