CAS RN: 6273-17-2
CAS Name: carbamimidothioic acid (carbamimidoylthio)methyl ester dihydrobromide
OPENEYE Name: 2-(carbamimidoylsulfanylmethyl)isothiourea dihydrobromide
IUPAC Name: carbamimidoylsulfanylmethyl carbamimidothioate dihydrobromide
SYSTEMATIC NAME: carbamimidoylsulfanylmethyl carbamimidothioate dihydrobromide
MOLECULAR FORMULA: C3H10Br2N4S2
MOLECULAR WEIGHT: 326.0763
SMILES: C(SC(=N)N)SC(=N)N.Br.Br
Structure:
CAS RN: 80235-78-5
CAS Name: 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenylethanamine
OPENEYE Name: 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenyl-ethanamine
IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenylethanamine
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenyl-ethanamine
MOLECULAR FORMULA: C17H21NO2
MOLECULAR WEIGHT: 271.35414
SMILES: CNC(CC1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 6269-05-2
CAS Name: 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenylethanamine hydrochloride
OPENEYE Name: 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenyl-ethanamine hydrochloride
IUPAC Name: 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenylethanamine hydrochloride
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)-N-methyl-2-phenyl-ethanamine hydrochloride
MOLECULAR FORMULA: C17H22ClNO2
MOLECULAR WEIGHT: 307.81508
SMILES: CNC(CC1=CC=CC=C1)C2=CC(=C(C=C2)OC)OC.Cl
Structure:
CAS RN: 6267-05-6
CAS Name: 2-(1,2-diphenylethylamino)ethanol hydrochloride
OPENEYE Name: 2-(1,2-diphenylethylamino)ethanol hydrochloride
IUPAC Name: 2-(1,2-diphenylethylamino)ethanol hydrochloride
SYSTEMATIC NAME: 2-(1,2-diphenylethylamino)ethanol hydrochloride
MOLECULAR FORMULA: C16H20ClNO
MOLECULAR WEIGHT: 277.7891
SMILES: C1=CC=C(C=C1)CC(C2=CC=CC=C2)NCCO.Cl
Structure:
CAS RN: 6266-40-6
CAS Name: 1-[10-(1-pyridin-1-iumyl)decyl]pyridin-1-ium dibromide
OPENEYE Name: 1-(10-pyridin-1-ium-1-yldecyl)pyridin-1-ium dibromide
IUPAC Name: 1-(10-pyridin-1-ium-1-yldecyl)pyridin-1-ium dibromide
SYSTEMATIC NAME: 1-(10-pyridin-1-ium-1-yldecyl)pyridin-1-ium dibromide
MOLECULAR FORMULA: C20H30Br2N2
MOLECULAR WEIGHT: 458.2736
SMILES: C1=CC=[N+](C=C1)CCCCCCCCCC[N+]2=CC=CC=C2.[Br-].[Br-]
Structure:
CAS RN: 6251-69-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O5
MOLECULAR WEIGHT: 360.44402
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H]4CC5([C@H]3CC[C@@H]5C(=O)CO)C(O4)O
Structure:
CAS RN: 6248-52-8
CAS Name: 4-(4-chlorophenyl)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidinol hydrochloride
OPENEYE Name: 4-(4-chlorophenyl)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-ol hydrochloride
IUPAC Name: 4-(4-chlorophenyl)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-ol hydrochloride
SYSTEMATIC NAME: 4-(4-chlorophenyl)-1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-ol hydrochloride
MOLECULAR FORMULA: C28H32Cl2N2O
MOLECULAR WEIGHT: 483.47248
SMILES: C1CC2=CC=CC=C2N(C3=CC=CC=C31)CCCN4CCC(CC4)(C5=CC=C(C=C5)Cl)O.Cl
Structure:
CAS RN: 6246-81-7
CAS Name: 3-[3-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[3-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxy-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[3-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,11,14-trihydroxy-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[3-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-5,11,14-tris(oxidanyl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O10
MOLECULAR WEIGHT: 566.68024
SMILES: CC1C(C(C(C(O1)OC2CCC3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)C)O)OC)O
Structure:
CAS RN: 6239-17-4
CAS Name: 2-[4-chloro-2-[[(3,4-dichlorophenyl)-oxomethyl]amino]phenoxy]acetic acid
OPENEYE Name: 2-[4-chloro-2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
IUPAC Name: 2-[4-chloro-2-[(3,4-dichlorobenzoyl)amino]phenoxy]acetic acid
SYSTEMATIC NAME: 2-[4-chloranyl-2-[(3,4-dichlorophenyl)carbonylamino]phenoxy]ethanoic acid
MOLECULAR FORMULA: C15H10Cl3NO4
MOLECULAR WEIGHT: 374.6032
SMILES: C1=CC(=C(C=C1C(=O)NC2=C(C=CC(=C2)Cl)OCC(=O)O)Cl)Cl
Structure:
CAS RN: 82499-08-9
CAS Name: 6-(4,5-dihydro-1H-imidazol-2-ylthio)-7H-purine
OPENEYE Name: 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purine
IUPAC Name: 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purine
SYSTEMATIC NAME: 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purine
MOLECULAR FORMULA: C8H8N6S
MOLECULAR WEIGHT: 220.25432
SMILES: C1CN=C(N1)SC2=NC=NC3=C2NC=N3
Structure:
CAS RN: 6237-92-9
CAS Name: 6-(4,5-dihydro-1H-imidazol-2-ylthio)-7H-purine hydrochloride
OPENEYE Name: 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purine hydrochloride
IUPAC Name: 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purine hydrochloride
SYSTEMATIC NAME: 6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purine hydrochloride
MOLECULAR FORMULA: C8H9ClN6S
MOLECULAR WEIGHT: 256.71526
SMILES: C1CN=C(N1)SC2=NC=NC3=C2NC=N3.Cl
Structure:
CAS RN: 6231-99-8
CAS Name: 6-methoxy-1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
OPENEYE Name: 6-methoxy-1-(4-pyridyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
IUPAC Name: 6-methoxy-1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
SYSTEMATIC NAME: 6-methoxy-1-pyridin-4-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole hydrochloride
MOLECULAR FORMULA: C17H18ClN3O
MOLECULAR WEIGHT: 315.79732
SMILES: COC1=CC2=C(C=C1)NC3=C2CCNC3C4=CC=NC=C4.Cl
Structure:
CAS RN: 6230-82-6
CAS Name: phenacyl(triphenyl)phosphonium iodide
OPENEYE Name: phenacyl(triphenyl)phosphonium iodide
IUPAC Name: phenacyl(triphenyl)phosphanium iodide
SYSTEMATIC NAME: phenacyl(triphenyl)phosphanium iodide
MOLECULAR FORMULA: C26H22IOP
MOLECULAR WEIGHT: 508.330511
SMILES: C1=CC=C(C=C1)C(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]
Structure:
CAS RN: 156-12-7
CAS Name: 1-(3,4-dichlorophenyl)-2-propanamine hydrochloride
OPENEYE Name: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
IUPAC Name: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C9H12Cl3N
MOLECULAR WEIGHT: 240.55728
SMILES: CC(CC1=CC(=C(C=C1)Cl)Cl)N.Cl
Structure:
CAS RN: 2643-14-3
CAS Name: 1-(3,4-dichlorophenyl)-2-propanamine hydrochloride
OPENEYE Name: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
IUPAC Name: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C9H12Cl3N
MOLECULAR WEIGHT: 240.55728
SMILES: CC(CC1=CC(=C(C=C1)Cl)Cl)N.Cl
Structure:
CAS RN: 6229-86-3
CAS Name: 1-(3,4-dichlorophenyl)-2-propanamine hydrochloride
OPENEYE Name: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
IUPAC Name: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C9H12Cl3N
MOLECULAR WEIGHT: 240.55728
SMILES: CC(CC1=CC(=C(C=C1)Cl)Cl)N.Cl
Structure:
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