CAS RN: 132436-36-3
CAS Name: [(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
OPENEYE Name: [(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
IUPAC Name: [(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
SYSTEMATIC NAME: [(1S,2S,3R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
MOLECULAR FORMULA: C11H15N5O2
MOLECULAR WEIGHT: 249.2691
SMILES: C1[C@@H]([C@@H]([C@@H]1N2C=NC3=C2N=CN=C3N)CO)CO
Structure:
CAS RN: 132194-26-4
CAS Name: 2-amino-9-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 2-amino-9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 2-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 2-azanyl-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H13N5O2S
MOLECULAR WEIGHT: 267.30752
SMILES: C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC(=NC3=S)N
Structure:
CAS RN: 133201-18-0
CAS Name: (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methoxy-ethoxyphosphoryl]amino]-3-phenylpropanoic acid methyl ester
OPENEYE Name: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-ethoxy-phosphoryl]amino]-3-phenyl-propanoate
IUPAC Name: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-ethoxyphosphoryl]amino]-3-phenylpropanoate
SYSTEMATIC NAME: methyl (2S)-2-[[[(2S,3S,5R)-3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methoxy-ethoxy-phosphoryl]amino]-3-phenyl-propanoate
MOLECULAR FORMULA: C22H29N6O8P
MOLECULAR WEIGHT: 536.474821
SMILES: CCOP(=O)(N[C@@H](CC1=CC=CC=C1)C(=O)OC)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)N=[N+]=[N-]
Structure:
CAS RN: 132460-57-2
CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; hydron; oxygen(2-); silicon(4+); tungsten
OPENEYE Name: (2S)-2-amino-5-guanidino-pentanoic acid; hydron; oxygen(2-); silicon(4+); tungsten
IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; hydron; oxygen(2-); silicon(4+); tungsten
SYSTEMATIC NAME: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; hydron; oxygen(2-); silicon(4+); tungsten
MOLECULAR FORMULA: C6H18N4O42SiW12-72
MOLECULAR WEIGHT: 3052.37422
SMILES: [H+].[H+].[H+].[H+].C(C[C@@H](C(=O)O)N)CN=C(N)N.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-
Structure:
CAS RN: 132460-56-1
CAS Name: (2S)-2,6-diaminohexanoic acid; hydron; oxygen(2-); silicon(4+); tungsten
OPENEYE Name: (2S)-2,6-diaminohexanoic acid; hydron; oxygen(2-); silicon(4+); tungsten
IUPAC Name: (2S)-2,6-diaminohexanoic acid; hydron; oxygen(2-); silicon(4+); tungsten
SYSTEMATIC NAME: (2S)-2,6-bis(azanyl)hexanoic acid; hydron; oxygen(2-); silicon(4+); tungsten
MOLECULAR FORMULA: C6H18N2O42SiW12-72
MOLECULAR WEIGHT: 3024.36082
SMILES: [H+].[H+].[H+].[H+].C(CCN)C[C@@H](C(=O)O)N.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O
Structure:
CAS RN: 4360-12-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26N2O2
MOLECULAR WEIGHT: 326.43264
SMILES: CC[C@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H]([C@@H]2[C@H]5O)N3[C@@H]1O)C6=CC=CC=C6N4C
Structure:
CAS RN: 126502-10-1
CAS Name: 9-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-3H-purine-6-thione
OPENEYE Name: 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-purine-6-thione
IUPAC Name: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C10H12N4O2S
MOLECULAR WEIGHT: 252.29288
SMILES: C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 122568-04-1
CAS Name: 1-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C9H12N2O3S
MOLECULAR WEIGHT: 228.26818
SMILES: C1C[C@@H](O[C@@H]1CO)N2C=CC(=S)NC2=O
Structure:
CAS RN: 122568-02-9
CAS Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C9H10N2O3S
MOLECULAR WEIGHT: 226.2523
SMILES: C1=C[C@@H](O[C@@H]1CO)N2C=CC(=S)NC2=O
Structure:
CAS RN: 108441-45-8
CAS Name: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
IUPAC Name: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C10H13N5O3S
MOLECULAR WEIGHT: 283.30692
SMILES: CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
Structure:
CAS RN: 122568-03-0
CAS Name: 1-[(2R,5S)-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C10H14N2O3S
MOLECULAR WEIGHT: 242.29476
SMILES: CC1=CN(C(=O)NC1=S)[C@H]2CC[C@H](O2)CO
Structure:
CAS RN: 118237-84-6
CAS Name: 9-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
OPENEYE Name: 9-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
IUPAC Name: 9-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4OS
MOLECULAR WEIGHT: 250.32006
SMILES: C1C[C@@H](C[C@@H]1CO)N2C=NC3=C2NC=NC3=S
Structure:
CAS RN: 118237-85-7
CAS Name: 9-[(1R,4S)-4-(hydroxymethyl)-1-cyclopent-2-enyl]-3H-purine-6-thione
OPENEYE Name: 9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purine-6-thione
IUPAC Name: 9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H12N4OS
MOLECULAR WEIGHT: 248.30418
SMILES: C1[C@@H](C=C[C@@H]1N2C=NC3=C2NC=NC3=S)CO
Structure:
CAS RN: 118333-19-0
CAS Name: 9-[(1R,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
OPENEYE Name: 9-[(1R,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
IUPAC Name: 9-[(1R,2S,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[(1R,2S,3S,4R)-4-(hydroxymethyl)-2,3-bis(oxidanyl)cyclopentyl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4O3S
MOLECULAR WEIGHT: 282.31886
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1N2C=NC3=C2NC=NC3=S)O)O)CO
Structure:
CAS RN: 78738-53-1
CAS Name: 9-[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
OPENEYE Name: 9-[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
IUPAC Name: 9-[(1R,2R,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3H-purine-6-thione
SYSTEMATIC NAME: 9-[(1R,2R,3R,4R)-4-(hydroxymethyl)-2,3-bis(oxidanyl)cyclopentyl]-3H-purine-6-thione
MOLECULAR FORMULA: C11H14N4O3S
MOLECULAR WEIGHT: 282.31886
SMILES: C1[C@@H]([C@H]([C@@H]([C@@H]1N2C=NC3=C2NC=NC3=S)O)O)CO
Structure:
CAS RN: 52605-85-3
CAS Name: 6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione
OPENEYE Name: 6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione
IUPAC Name: 6-amino-1,5-dihydroimidazo[4,5-c]pyridine-4-thione
SYSTEMATIC NAME: 6-azanyl-1,5-dihydroimidazo[4,5-c]pyridine-4-thione
MOLECULAR FORMULA: C6H6N4S
MOLECULAR WEIGHT: 166.20364
SMILES: C1=C(NC(=S)C2=C1NC=N2)N
Structure:
CAS RN: 124903-20-4
CAS Name: 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)-2-oxolanyl]-5-methyl-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
IUPAC Name: 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,4S,5R)-4-fluoranyl-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C10H13FN2O3S
MOLECULAR WEIGHT: 260.285223
SMILES: CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)F
Structure:
CAS RN: 5983-08-4
CAS Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidene-2-pyrimidinone
OPENEYE Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-thioxo-pyrimidin-2-one
IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
SYSTEMATIC NAME: 1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methyl-4-sulfanylidene-pyrimidin-2-one
MOLECULAR FORMULA: C10H12N2O3S
MOLECULAR WEIGHT: 240.27888
SMILES: CC1=CN(C(=O)NC1=S)[C@H]2C=C[C@H](O2)CO
Structure:
CAS RN: 126347-69-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20ClN3S
MOLECULAR WEIGHT: 321.8681
SMILES: C[C@H]1CN2C3=C(C=C(C=C3CN1CC=C(C)C)Cl)NC2=S
Structure:
CAS RN: 126320-77-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H21N3S
MOLECULAR WEIGHT: 287.42304
SMILES: C[C@H]1CN2C3=C(CN1CC=C(C)C)C=CC=C3NC2=S
Structure:
CAS RN: 288146-22-5
CAS Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-[5-(trifluoromethyl)-2-pyridinyl]thiourea
OPENEYE Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-[5-(trifluoromethyl)-2-pyridyl]thiourea
IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-[5-(trifluoromethyl)pyridin-2-yl]thiourea
SYSTEMATIC NAME: 1-[2-(2,5-dimethoxyphenyl)ethyl]-3-[5-(trifluoromethyl)pyridin-2-yl]thiourea
MOLECULAR FORMULA: C17H18F3N3O2S
MOLECULAR WEIGHT: 385.40393
SMILES: COC1=CC(=C(C=C1)OC)CCNC(=S)NC2=NC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 123932-68-3
CAS Name: [(2R,3S)-3-heptyl-2-oxiranyl]methanol
OPENEYE Name: [(2R,3S)-3-heptyloxiran-2-yl]methanol
IUPAC Name: [(2R,3S)-3-heptyloxiran-2-yl]methanol
SYSTEMATIC NAME: [(2R,3S)-3-heptyloxiran-2-yl]methanol
MOLECULAR FORMULA: C10H20O2
MOLECULAR WEIGHT: 172.2646
SMILES: CCCCCCC[C@H]1[C@H](O1)CO
Structure:
CAS RN: 126199-02-8
CAS Name: (2R,3R,4R)-2-(6-aminopurin-9-yl)-3,4-bis(hydroxymethyl)-3-oxetanol
OPENEYE Name: (2R,3R,4R)-2-(6-aminopurin-9-yl)-3,4-bis(hydroxymethyl)oxetan-3-ol
IUPAC Name: (2R,3R,4R)-2-(6-aminopurin-9-yl)-3,4-bis(hydroxymethyl)oxetan-3-ol
SYSTEMATIC NAME: (2R,3R,4R)-2-(6-aminopurin-9-yl)-3,4-bis(hydroxymethyl)oxetan-3-ol
MOLECULAR FORMULA: C10H13N5O4
MOLECULAR WEIGHT: 267.24132
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@]([C@H](O3)CO)(CO)O
Structure:
CAS RN: 300669-68-5
CAS Name: N-[(E)-1-chloro-3-oxo-1-phenyl-3-(1-piperidinyl)prop-1-en-2-yl]benzamide
OPENEYE Name: N-[(E)-2-chloro-2-phenyl-1-(piperidine-1-carbonyl)vinyl]benzamide
IUPAC Name: N-[(E)-1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]benzamide
SYSTEMATIC NAME: N-[(E)-1-chloranyl-3-oxidanylidene-1-phenyl-3-piperidin-1-yl-prop-1-en-2-yl]benzamide
MOLECULAR FORMULA: C21H21ClN2O2
MOLECULAR WEIGHT: 368.85664
SMILES: C1CCN(CC1)C(=O)/C(=C(/C2=CC=CC=C2)\Cl)/NC(=O)C3=CC=CC=C3
Structure:
CAS RN: 121104-88-9
CAS Name: 4-methylbenzoic acid [(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] ester
OPENEYE Name: [(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 4-methylbenzoate
IUPAC Name: [(1S,6S,7R,8R,8aR)-1,6,8-trihydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 4-methylbenzoate
SYSTEMATIC NAME: [(1S,6S,7R,8R,8aR)-1,6,8-tris(oxidanyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl] 4-methylbenzoate
MOLECULAR FORMULA: C16H21NO5
MOLECULAR WEIGHT: 307.34164
SMILES: CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](CN3CC[C@@H]([C@@H]3[C@H]2O)O)O
Structure:
CAS RN: 6990-06-3
CAS Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-5-heptenoic acid
OPENEYE Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetoxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid
IUPAC Name: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
SYSTEMATIC NAME: (2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-4,8,10,14-tetramethyl-3,11-bis(oxidanyl)-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methyl-hept-5-enoic acid
MOLECULAR FORMULA: C31H48O6
MOLECULAR WEIGHT: 516.70922
SMILES: C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C@H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C
Structure:
CAS RN: 56344-53-7
CAS Name: 5,6-dimethyl-7-(phenylmethyl)-4-pyrrolo[2,3-d]pyrimidinamine
OPENEYE Name: 7-benzyl-5,6-dimethyl-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Name: 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SYSTEMATIC NAME: 5,6-dimethyl-7-(phenylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
MOLECULAR FORMULA: C15H16N4
MOLECULAR WEIGHT: 252.31434
SMILES: CC1=C(N(C2=C1C(=NC=N2)N)CC3=CC=CC=C3)C
Structure:
CAS RN: 6139-13-5
CAS Name: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]purine-2,6-dione
OPENEYE Name: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]purine-2,6-dione
IUPAC Name: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]purine-2,6-dione
SYSTEMATIC NAME: 1,3,7-trimethyl-8-[2-(3-methylphenoxy)ethylamino]purine-2,6-dione
MOLECULAR FORMULA: C17H21N5O3
MOLECULAR WEIGHT: 343.38034
SMILES: CC1=CC(=CC=C1)OCCNC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C
Structure:
CAS RN: 6547-93-9
CAS Name: tris(4-morpholinyl)-phenyliminophosphorane
OPENEYE Name: trimorpholino(phenylimino)-$l^{5}-phosphane
IUPAC Name: trimorpholin-4-yl(phenylimino)-$l^{5}-phosphane
SYSTEMATIC NAME: trimorpholin-4-yl(phenylimino)-$l^{5}-phosphane
MOLECULAR FORMULA: C18H29N4O3P
MOLECULAR WEIGHT: 380.421621
SMILES: C1COCCN1P(=NC2=CC=CC=C2)(N3CCOCC3)N4CCOCC4
Structure:
CAS RN: 109768-67-4
CAS Name: N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine
OPENEYE Name: N-(p-tolyl)-4H-3,1-benzothiazin-2-amine
IUPAC Name: N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine
SYSTEMATIC NAME: N-(4-methylphenyl)-4H-3,1-benzothiazin-2-amine
MOLECULAR FORMULA: C15H14N2S
MOLECULAR WEIGHT: 254.35006
SMILES: CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3CS2
Structure:
CAS RN: 5553-55-9
CAS Name: N-[4-(3-hydroxy-2H-1,4-benzodioxin-3-yl)phenyl]acetamide
OPENEYE Name: N-[4-(3-hydroxy-2H-1,4-benzodioxin-3-yl)phenyl]acetamide
IUPAC Name: N-[4-(3-hydroxy-2H-1,4-benzodioxin-3-yl)phenyl]acetamide
SYSTEMATIC NAME: N-[4-(3-oxidanyl-2H-1,4-benzodioxin-3-yl)phenyl]ethanamide
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: CC(=O)NC1=CC=C(C=C1)C2(COC3=CC=CC=C3O2)O
Structure:
CAS RN: 26538-44-3
CAS Name: (7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
OPENEYE Name: (7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
IUPAC Name: (7R,11S)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
SYSTEMATIC NAME: (7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
MOLECULAR FORMULA: C18H26O5
MOLECULAR WEIGHT: 322.39604
SMILES: C[C@H]1CCC[C@@H](CCCCCC2=CC(=CC(=C2C(=O)O1)O)O)O
Structure:
CAS RN: 159494-27-6
CAS Name: 5-amino-2-(2-oxolanyl)-1,2,4-triazin-3-one
OPENEYE Name: 5-amino-2-tetrahydrofuran-2-yl-1,2,4-triazin-3-one
IUPAC Name: 5-amino-2-(oxolan-2-yl)-1,2,4-triazin-3-one
SYSTEMATIC NAME: 5-azanyl-2-(oxolan-2-yl)-1,2,4-triazin-3-one
MOLECULAR FORMULA: C7H10N4O2
MOLECULAR WEIGHT: 182.1799
SMILES: C1CC(OC1)N2C(=O)N=C(C=N2)N
Structure:
CAS RN: 90152-88-8
CAS Name: 2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid
OPENEYE Name: 2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid
IUPAC Name: 2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)acetic acid
SYSTEMATIC NAME: 2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanoic acid
MOLECULAR FORMULA: C8H14N2O2
MOLECULAR WEIGHT: 170.20896
SMILES: C1CCC(=NCC1)NCC(=O)O
Structure:
CAS RN: 590355-40-1
CAS Name: 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
OPENEYE Name: 5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid
IUPAC Name: 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
SYSTEMATIC NAME: 5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
MOLECULAR FORMULA: C11H14O2S
MOLECULAR WEIGHT: 210.29266
SMILES: CCC1CCC2=C(C1)C=C(S2)C(=O)O
Structure:
CAS RN: 4414-84-0
CAS Name: 3-(1-benzimidazolyl)propanenitrile
OPENEYE Name: 3-(benzimidazol-1-yl)propanenitrile
IUPAC Name: 3-(benzimidazol-1-yl)propanenitrile
SYSTEMATIC NAME: 3-(benzimidazol-1-yl)propanenitrile
MOLECULAR FORMULA: C10H9N3
MOLECULAR WEIGHT: 171.19856
SMILES: C1=CC=C2C(=C1)N=CN2CCC#N
Structure:
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