CAS RN: 49871-87-6
CAS Name: 6-methyloxane-2,4,5-triol
OPENEYE Name: 6-methyltetrahydropyran-2,4,5-triol
IUPAC Name: 6-methyloxane-2,4,5-triol
SYSTEMATIC NAME: 6-methyloxane-2,4,5-triol
MOLECULAR FORMULA: C6H12O4
MOLECULAR WEIGHT: 148.15708
SMILES: CC1C(C(CC(O1)O)O)O
Structure:
CAS RN: 51020-42-9
CAS Name: 6-methyloxane-2,4,5-triol
OPENEYE Name: 6-methyltetrahydropyran-2,4,5-triol
IUPAC Name: 6-methyloxane-2,4,5-triol
SYSTEMATIC NAME: 6-methyloxane-2,4,5-triol
MOLECULAR FORMULA: C6H12O4
MOLECULAR WEIGHT: 148.15708
SMILES: CC1C(C(CC(O1)O)O)O
Structure:
CAS RN: 72273-04-2
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetic acid [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
IUPAC Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]acetate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] 2-[4-[bis(2-chloroethyl)amino]phenoxy]ethanoate
MOLECULAR FORMULA: C31H44Cl2N2O4
MOLECULAR WEIGHT: 579.59806
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)COC5=CC=C(C=C5)N(CCCl)CCCl
Structure:
CAS RN: 61634-77-3
CAS Name: 2-ethoxy-10H-indolo[2,3-b][1,8]naphthyridine
OPENEYE Name: 2-ethoxy-10H-indolo[2,3-b][1,8]naphthyridine
IUPAC Name: 2-ethoxy-10H-indolo[2,3-b][1,8]naphthyridine
SYSTEMATIC NAME: 2-ethoxy-10H-indolo[2,3-b][1,8]naphthyridine
MOLECULAR FORMULA: C16H13N3O
MOLECULAR WEIGHT: 263.29392
SMILES: CCOC1=NC2=NC3=C(C=C2C=C1)C4=CC=CC=C4N3
Structure:
CAS RN: 61634-73-9
CAS Name: 10H-indolo[2,3-b][1,8]naphthyridin-2-amine
OPENEYE Name: 10H-indolo[2,3-b][1,8]naphthyridin-2-amine
IUPAC Name: 10H-indolo[2,3-b][1,8]naphthyridin-2-amine
SYSTEMATIC NAME: 10H-indolo[2,3-b][1,8]naphthyridin-2-amine
MOLECULAR FORMULA: C14H10N4
MOLECULAR WEIGHT: 234.256
SMILES: C1=CC=C2C(=C1)C3=C(N2)N=C4C(=C3)C=CC(=N4)N
Structure:
CAS RN: 51866-13-8
CAS Name: 4-methyl-3,4-dihydro-2H-oxazino[3,2-b]quinazolin-10-one
OPENEYE Name: 4-methyl-3,4-dihydro-2H-oxazino[3,2-b]quinazolin-10-one
IUPAC Name: 4-methyl-3,4-dihydro-2H-oxazino[3,2-b]quinazolin-10-one
SYSTEMATIC NAME: 4-methyl-3,4-dihydro-2H-[1,2]oxazino[3,2-b]quinazolin-10-one
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: CC1CCON2C1=NC3=CC=CC=C3C2=O
Structure:
CAS RN: 37795-81-6
CAS Name: 6-chloro-2,3-dihydroisoxazolo[3,2-b]quinazolin-9-one
OPENEYE Name: 6-chloro-2,3-dihydroisoxazolo[3,2-b]quinazolin-9-one
IUPAC Name: 6-chloro-2,3-dihydro-[1,2]oxazolo[3,2-b]quinazolin-9-one
SYSTEMATIC NAME: 6-chloranyl-2,3-dihydro-[1,2]oxazolo[3,2-b]quinazolin-9-one
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: C1CON2C1=NC3=C(C2=O)C=CC(=C3)Cl
Structure:
CAS RN: 37795-72-5
CAS Name: 2-methyl-2,3-dihydroisoxazolo[3,2-b]quinazolin-9-one
OPENEYE Name: 2-methyl-2,3-dihydroisoxazolo[3,2-b]quinazolin-9-one
IUPAC Name: 2-methyl-2,3-dihydro-[1,2]oxazolo[3,2-b]quinazolin-9-one
SYSTEMATIC NAME: 2-methyl-2,3-dihydro-[1,2]oxazolo[3,2-b]quinazolin-9-one
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CC1CC2=NC3=CC=CC=C3C(=O)N2O1
Structure:
CAS RN: 37795-70-3
CAS Name: 7-chloro-2,3-dihydroisoxazolo[3,2-b]quinazolin-9-one
OPENEYE Name: 7-chloro-2,3-dihydroisoxazolo[3,2-b]quinazolin-9-one
IUPAC Name: 7-chloro-2,3-dihydro-[1,2]oxazolo[3,2-b]quinazolin-9-one
SYSTEMATIC NAME: 7-chloranyl-2,3-dihydro-[1,2]oxazolo[3,2-b]quinazolin-9-one
MOLECULAR FORMULA: C10H7ClN2O2
MOLECULAR WEIGHT: 222.62778
SMILES: C1CON2C1=NC3=C(C2=O)C=C(C=C3)Cl
Structure:
CAS RN: 63482-73-5
CAS Name: 7-fluoro-3,3a-dihydro-2H-isoxazolo[3,2-b][1,3]benzoxazin-9-one
OPENEYE Name: 7-fluoro-3,3a-dihydro-2H-isoxazolo[3,2-b][1,3]benzoxazin-9-one
IUPAC Name: 7-fluoro-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
SYSTEMATIC NAME: 7-fluoranyl-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
MOLECULAR FORMULA: C10H8FNO3
MOLECULAR WEIGHT: 209.173823
SMILES: C1CON2C1OC3=C(C2=O)C=C(C=C3)F
Structure:
CAS RN: 63482-65-5
CAS Name: 7-bromo-3,3a-dihydro-2H-isoxazolo[3,2-b][1,3]benzoxazin-9-one
OPENEYE Name: 7-bromo-3,3a-dihydro-2H-isoxazolo[3,2-b][1,3]benzoxazin-9-one
IUPAC Name: 7-bromo-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
SYSTEMATIC NAME: 7-bromanyl-3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
MOLECULAR FORMULA: C10H8BrNO3
MOLECULAR WEIGHT: 270.07942
SMILES: C1CON2C1OC3=C(C2=O)C=C(C=C3)Br
Structure:
CAS RN: 25206-43-3
CAS Name: 3,3a-dihydro-2H-isoxazolo[3,2-b][1,3]benzoxazin-9-one
OPENEYE Name: 3,3a-dihydro-2H-isoxazolo[3,2-b][1,3]benzoxazin-9-one
IUPAC Name: 3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
SYSTEMATIC NAME: 3,3a-dihydro-2H-[1,2]oxazolo[3,2-b][1,3]benzoxazin-9-one
MOLECULAR FORMULA: C10H9NO3
MOLECULAR WEIGHT: 191.18336
SMILES: C1CON2C1OC3=CC=CC=C3C2=O
Structure:
CAS RN: 55955-07-2
CAS Name: (5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
OPENEYE Name: (5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one
IUPAC Name: (5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
SYSTEMATIC NAME: (5R,5aR,8aR)-5-(7-methoxy-1,3-benzodioxol-5-yl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
MOLECULAR FORMULA: C21H18O7
MOLECULAR WEIGHT: 382.36342
SMILES: COC1=CC(=CC2=C1OCO2)[C@H]3[C@@H]4[C@@H](CC5=CC6=C(C=C35)OCO6)COC4=O
Structure:
CAS RN: 61466-66-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20N2O5
MOLECULAR WEIGHT: 308.3297
SMILES: C1CCC2(CC1)N3C(=NC(=O)O2)OC4(CCCCC4)OC3=O
Structure:
CAS RN: 25227-79-6
CAS Name: N-(3-formamidophenyl)formamide
OPENEYE Name: N-(3-formamidophenyl)formamide
IUPAC Name: N-(3-formamidophenyl)formamide
SYSTEMATIC NAME: N-(3-formamidophenyl)methanamide
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: C1=CC(=CC(=C1)NC=O)NC=O
Structure:
CAS RN: 1523-09-7
CAS Name: acetic acid (2,6-dinitrophenyl) ester
OPENEYE Name: (2,6-dinitrophenyl) acetate
IUPAC Name: (2,6-dinitrophenyl) acetate
SYSTEMATIC NAME: (2,6-dinitrophenyl) ethanoate
MOLECULAR FORMULA: C8H6N2O6
MOLECULAR WEIGHT: 226.14304
SMILES: CC(=O)OC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7175-34-0
CAS Name: 2-amino-4-(methylamino)-4-oxobutanoic acid
OPENEYE Name: 2-amino-4-(methylamino)-4-oxo-butanoic acid
IUPAC Name: 2-amino-4-(methylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 2-azanyl-4-(methylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C5H10N2O3
MOLECULAR WEIGHT: 146.1445
SMILES: CNC(=O)CC(C(=O)O)N
Structure:
CAS RN: 49810-14-2
CAS Name: N-[1,3-dimethyl-4-(methylamino)-2,6-dioxo-5-pyrimidinyl]-N-(ethoxycarbonylamino)carbamic acid ethyl ester
OPENEYE Name: ethyl N-[1,3-dimethyl-4-(methylamino)-2,6-dioxo-pyrimidin-5-yl]-N-(ethoxycarbonylamino)carbamate
IUPAC Name: ethyl N-[1,3-dimethyl-4-(methylamino)-2,6-dioxopyrimidin-5-yl]-N-(ethoxycarbonylamino)carbamate
SYSTEMATIC NAME: ethyl N-[1,3-dimethyl-4-(methylamino)-2,6-bis(oxidanylidene)pyrimidin-5-yl]-N-(ethoxycarbonylamino)carbamate
MOLECULAR FORMULA: C13H21N5O6
MOLECULAR WEIGHT: 343.33574
SMILES: CCOC(=O)NN(C1=C(N(C(=O)N(C1=O)C)C)NC)C(=O)OCC
Structure:
CAS RN: 54058-30-9
CAS Name: 6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione
OPENEYE Name: 6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethyl-pyrimidine-2,4-dione
IUPAC Name: 6-amino-5-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-1,3-dimethylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-azanyl-5-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C14H14N6O4
MOLECULAR WEIGHT: 330.29876
SMILES: CN1C(=C(C(=O)N(C1=O)C)N2C(=O)N(C(=O)N2)C3=CC=CC=C3)N
Structure:
CAS RN: 65079-08-5
CAS Name: 3-(3,4-dimethoxyphenyl)-1-methylindazole-4,7-dione
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-1-methyl-indazole-4,7-dione
IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-methylindazole-4,7-dione
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-1-methyl-indazole-4,7-dione
MOLECULAR FORMULA: C16H14N2O4
MOLECULAR WEIGHT: 298.29336
SMILES: CN1C2=C(C(=O)C=CC2=O)C(=N1)C3=CC(=C(C=C3)OC)OC
Structure:
CAS RN: 41555-68-4
CAS Name: 3-(3,4-dimethoxyphenyl)-1-methyl-6,7-dihydro-5H-indazol-4-one
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-1-methyl-6,7-dihydro-5H-indazol-4-one
IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-methyl-6,7-dihydro-5H-indazol-4-one
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-1-methyl-6,7-dihydro-5H-indazol-4-one
MOLECULAR FORMULA: C16H18N2O3
MOLECULAR WEIGHT: 286.32572
SMILES: CN1C2=C(C(=O)CCC2)C(=N1)C3=CC(=C(C=C3)OC)OC
Structure:
CAS RN: 73240-32-1
CAS Name: 2-(2,2,6-trimethyl-7-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)-1,2,4-triazine-3,5-dione
OPENEYE Name: 2-(2,2,6-trimethyl-7-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)-1,2,4-triazine-3,5-dione
IUPAC Name: 2-(2,2,6-trimethyl-7-oxo-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)-1,2,4-triazine-3,5-dione
SYSTEMATIC NAME: 2-(2,2,6-trimethyl-7-oxidanylidene-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)-1,2,4-triazine-3,5-dione
MOLECULAR FORMULA: C12H15N3O6
MOLECULAR WEIGHT: 297.264
SMILES: CC1C(=O)C2C(C(O1)N3C(=O)NC(=O)C=N3)OC(O2)(C)C
Structure:
CAS RN: 68774-93-6
CAS Name: 3-methyl-8-(methylthio)-[1,2,4]triazolo[4,3-a]pyrazine
OPENEYE Name: 3-methyl-8-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrazine
IUPAC Name: 3-methyl-8-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrazine
SYSTEMATIC NAME: 3-methyl-8-methylsulfanyl-[1,2,4]triazolo[4,3-a]pyrazine
MOLECULAR FORMULA: C7H8N4S
MOLECULAR WEIGHT: 180.23022
SMILES: CC1=NN=C2N1C=CN=C2SC
Structure:
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