CAS RN: 14698-18-1
CAS Name: 2-[3-carbamoyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-2H-furo[2,3-d]oxazol-2-yl]-2-fluoroacetic acid
OPENEYE Name: 2-[3-carbamoyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-2H-furo[2,3-d]oxazol-2-yl]-2-fluoro-acetic acid
IUPAC Name: 2-[3-carbamoyl-6-hydroxy-5-(hydroxymethyl)-3a,5,6,6a-tetrahydro-2H-furo[2,3-d][1,3]oxazol-2-yl]-2-fluoroacetic acid
SYSTEMATIC NAME: 2-[3-aminocarbonyl-5-(hydroxymethyl)-6-oxidanyl-3a,5,6,6a-tetrahydro-2H-furo[2,3-d][1,3]oxazol-2-yl]-2-fluoranyl-ethanoic acid
MOLECULAR FORMULA: C9H13FN2O7
MOLECULAR WEIGHT: 280.207123
SMILES: C(C1C(C2C(O1)N(C(O2)C(C(=O)O)F)C(=O)N)O)O
Structure:
CAS RN: 69256-17-3
CAS Name: 1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O5
MOLECULAR WEIGHT: 260.219023
SMILES: CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F
Structure:
CAS RN: 54898-34-9
CAS Name: 1-[3-chloro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione
OPENEYE Name: 1-[3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
IUPAC Name: 1-[3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[3-chloranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13ClN2O5
MOLECULAR WEIGHT: 276.67362
SMILES: CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)Cl
Structure:
CAS RN: 10212-32-5
CAS Name: 2-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-5-fluoro-4-pyrimidinone
OPENEYE Name: 2-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-fluoro-pyrimidin-4-one
IUPAC Name: 2-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-5-fluoranyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-4-one
MOLECULAR FORMULA: C9H12FN3O5
MOLECULAR WEIGHT: 261.207083
SMILES: C1=C(C(=O)N=C(N1C2C(C(C(O2)CO)O)O)N)F
Structure:
CAS RN: 10212-30-3
CAS Name: 2-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-4-pyrimidinone
OPENEYE Name: 2-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-4-one
IUPAC Name: 2-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-4-one
SYSTEMATIC NAME: 2-azanyl-1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-4-one
MOLECULAR FORMULA: C9H13N3O5
MOLECULAR WEIGHT: 243.21662
SMILES: C1=CN(C(=NC1=O)N)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 4874-38-8
CAS Name: 5-(iodomethyl)-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(iodomethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(iodomethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(iodanylmethyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H5IN2O2
MOLECULAR WEIGHT: 252.00987
SMILES: C1=C(C(=O)NC(=O)N1)CI
Structure:
CAS RN: 4874-03-7
CAS Name: 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methylthio]methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[(2,4-dioxo-1H-pyrimidin-5-yl)methylsulfanylmethyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methylsulfanylmethyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H10N4O4S
MOLECULAR WEIGHT: 282.2758
SMILES: C1=C(C(=O)NC(=O)N1)CSCC2=CNC(=O)NC2=O
Structure:
CAS RN: 4874-42-4
CAS Name: thiocyanic acid (2,4-dioxo-1H-pyrimidin-5-yl)methyl ester
OPENEYE Name: (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl)methyl thiocyanate
SYSTEMATIC NAME: [2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl thiocyanate
MOLECULAR FORMULA: C6H5N3O2S
MOLECULAR WEIGHT: 183.1878
SMILES: C1=C(C(=O)NC(=O)N1)CSC#N
Structure:
CAS RN: 4874-41-3
CAS Name: 5-[(ethylthio)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(ethylsulfanylmethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(ethylsulfanylmethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(ethylsulfanylmethyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C7H10N2O2S
MOLECULAR WEIGHT: 186.2315
SMILES: CCSCC1=CNC(=O)NC1=O
Structure:
CAS RN: 4874-40-2
CAS Name: 5-[(methylthio)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-(methylsulfanylmethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 5-(methylsulfanylmethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-(methylsulfanylmethyl)-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C6H8N2O2S
MOLECULAR WEIGHT: 172.20492
SMILES: CSCC1=CNC(=O)NC1=O
Structure:
CAS RN: 3257-80-5
CAS Name: methanesulfonic acid [3-(2,4-dioxo-1-pyrimidinyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] ester
OPENEYE Name: [3-(2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methanesulfonate
IUPAC Name: [3-(2,4-dioxopyrimidin-1-yl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methanesulfonate
SYSTEMATIC NAME: [3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dioxabicyclo[2.2.1]heptan-7-yl] methanesulfonate
MOLECULAR FORMULA: C10H12N2O7S
MOLECULAR WEIGHT: 304.27648
SMILES: CS(=O)(=O)OC1C2COC1C(O2)N3C=CC(=O)NC3=O
Structure:
CAS RN: 3257-75-8
CAS Name: 1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
OPENEYE Name: 1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
IUPAC Name: 1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H10N2O5
MOLECULAR WEIGHT: 226.1861
SMILES: C1C2C(C(O1)C(O2)N3C=CC(=O)NC3=O)O
Structure:
CAS RN: 3257-86-1
CAS Name: 1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
OPENEYE Name: 1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
IUPAC Name: 1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-(7-oxidanyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H10N2O5
MOLECULAR WEIGHT: 226.1861
SMILES: C1C2C(C(O1)C(O2)N3C=CC(=O)NC3=O)O
Structure:
CAS RN: 3257-76-9
CAS Name: 1-[3,4-dihydroxy-5-(iodomethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 1-[3,4-dihydroxy-5-(iodomethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 1-[3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[5-(iodanylmethyl)-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H11IN2O5
MOLECULAR WEIGHT: 354.09851
SMILES: C1=CN(C(=O)NC1=O)C2C(C(C(O2)CI)O)O
Structure:
CAS RN: 10212-20-1
CAS Name: 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
OPENEYE Name: 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
IUPAC Name: 4-amino-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[3-fluoranyl-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H12FN3O4
MOLECULAR WEIGHT: 245.207683
SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F
Structure:
CAS RN: 1806-62-8
CAS Name: 4-amino-1-hydroxy-2-pyrimidinone
OPENEYE Name: 4-amino-1-hydroxy-pyrimidin-2-one
IUPAC Name: 4-amino-1-hydroxypyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-oxidanyl-pyrimidin-2-one
MOLECULAR FORMULA: C4H5N3O2
MOLECULAR WEIGHT: 127.1014
SMILES: C1=CN(C(=O)N=C1N)O
Structure:
CAS RN: 696-12-8
CAS Name: 1-hydroxypyrimidine-2,4-dione
OPENEYE Name: 1-hydroxypyrimidine-2,4-dione
IUPAC Name: 1-hydroxypyrimidine-2,4-dione
SYSTEMATIC NAME: 1-oxidanylpyrimidine-2,4-dione
MOLECULAR FORMULA: C4H4N2O3
MOLECULAR WEIGHT: 128.08616
SMILES: C1=CN(C(=O)NC1=O)O
Structure:
CAS RN: 4874-04-8
CAS Name: 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyldisulfanyl]methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyldisulfanyl]methyl]-1H-pyrimidine-2,4-dione
IUPAC Name: 5-[[(2,4-dioxo-1H-pyrimidin-5-yl)methyldisulfanyl]methyl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyldisulfanyl]methyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H10N4O4S2
MOLECULAR WEIGHT: 314.3408
SMILES: C1=C(C(=O)NC(=O)N1)CSSCC2=CNC(=O)NC2=O
Structure:
CAS RN: 2498-01-3
CAS Name: 2-[(N-ethyl-3-methylanilino)methyl]isoindole-1,3-dione
OPENEYE Name: 2-[(N-ethyl-3-methyl-anilino)methyl]isoindoline-1,3-dione
IUPAC Name: 2-[(N-ethyl-3-methylanilino)methyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[[ethyl-(3-methylphenyl)amino]methyl]isoindole-1,3-dione
MOLECULAR FORMULA: C18H18N2O2
MOLECULAR WEIGHT: 294.34772
SMILES: CCN(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC(=C3)C
Structure:
CAS RN: 10270-11-8
CAS Name: 1-(dimethylamino)pyrrole-2,5-dione
OPENEYE Name: 1-(dimethylamino)pyrrole-2,5-dione
IUPAC Name: 1-(dimethylamino)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(dimethylamino)pyrrole-2,5-dione
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: CN(C)N1C(=O)C=CC1=O
Structure:
CAS RN: 52444-15-2
CAS Name: N,2-dimethyl-N-(2-methylprop-2-enyl)-2-propen-1-amine
OPENEYE Name: N,2-dimethyl-N-(2-methylallyl)prop-2-en-1-amine
IUPAC Name: N,2-dimethyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine
SYSTEMATIC NAME: N,2-dimethyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CC(=C)CN(C)CC(=C)C
Structure:
CAS RN: 4770-74-5
CAS Name: 2-(4-nitrophenyl)-3H-isoindol-1-one
OPENEYE Name: 2-(4-nitrophenyl)isoindolin-1-one
IUPAC Name: 2-(4-nitrophenyl)-3H-isoindol-1-one
SYSTEMATIC NAME: 2-(4-nitrophenyl)-3H-isoindol-1-one
MOLECULAR FORMULA: C14H10N2O3
MOLECULAR WEIGHT: 254.2408
SMILES: C1C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 10321-66-1
CAS Name: 2-(phenylmethyl)sulfonyl-1-cyclohexanone
OPENEYE Name: 2-benzylsulfonylcyclohexanone
IUPAC Name: 2-benzylsulfonylcyclohexan-1-one
SYSTEMATIC NAME: 2-(phenylmethyl)sulfonylcyclohexan-1-one
MOLECULAR FORMULA: C13H16O3S
MOLECULAR WEIGHT: 252.32934
SMILES: C1CCC(=O)C(C1)S(=O)(=O)CC2=CC=CC=C2
Structure:
CAS RN: 50545-06-7
CAS Name: 3,3-dibromo-2-oxanol
OPENEYE Name: 3,3-dibromotetrahydropyran-2-ol
IUPAC Name: 3,3-dibromooxan-2-ol
SYSTEMATIC NAME: 3,3-bis(bromanyl)oxan-2-ol
MOLECULAR FORMULA: C5H8Br2O2
MOLECULAR WEIGHT: 259.92382
SMILES: C1CC(C(OC1)O)(Br)Br
Structure:
CAS RN: 13534-24-2
CAS Name: [4-(aminomethyl)phenyl]methanamine; hexanedioic acid
OPENEYE Name: adipic acid; [4-(aminomethyl)phenyl]methanamine
IUPAC Name: [4-(aminomethyl)phenyl]methanamine; hexanedioic acid
SYSTEMATIC NAME: [4-(aminomethyl)phenyl]methanamine; hexanedioic acid
MOLECULAR FORMULA: C14H22N2O4
MOLECULAR WEIGHT: 282.33548
SMILES: C1=CC(=CC=C1CN)CN.C(CCC(=O)O)CC(=O)O
Structure:
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