CAS RN: 116208-75-4
CAS Name: 1,3-bis[(4-chlorophenyl)methyl]-2-oxo-N-phenyl-1,3,2$l^{5}-diazaphosphorinan-2-amine
OPENEYE Name: 1,3-bis[(4-chlorophenyl)methyl]-2-oxo-N-phenyl-1,3,2$l^{5}-diazaphosphinan-2-amine
IUPAC Name: 1,3-bis[(4-chlorophenyl)methyl]-2-oxo-N-phenyl-1,3,2$l^{5}-diazaphosphinan-2-amine
SYSTEMATIC NAME: 1,3-bis[(4-chlorophenyl)methyl]-2-oxidanylidene-N-phenyl-1,3,2$l^{5}-diazaphosphinan-2-amine
MOLECULAR FORMULA: C23H24Cl2N3OP
MOLECULAR WEIGHT: 460.335921
SMILES: C1CN(P(=O)(N(C1)CC2=CC=C(C=C2)Cl)NC3=CC=CC=C3)CC4=CC=C(C=C4)Cl
Structure:
CAS RN: 92298-20-9
CAS Name: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-phenylacetonitrile
OPENEYE Name: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-phenyl-acetonitrile
IUPAC Name: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)N(CCO)CCO
Structure:
CAS RN: 15330-76-4
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetic acid
OPENEYE Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenyl-acetic acid
IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetic acid
SYSTEMATIC NAME: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C18H19Cl2NO2
MOLECULAR WEIGHT: 352.25496
SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O
Structure:
CAS RN: 15327-38-5
CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetonitrile
OPENEYE Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenyl-acetonitrile
IUPAC Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenylacetonitrile
SYSTEMATIC NAME: 2-[4-[bis(2-chloroethyl)amino]phenyl]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C18H18Cl2N2
MOLECULAR WEIGHT: 333.25492
SMILES: C1=CC=C(C=C1)C(C#N)C2=CC=C(C=C2)N(CCCl)CCCl
Structure:
CAS RN: 5420-92-8
CAS Name: methanesulfonic acid [(2S,3S)-2,3-bis(ethoxycarbonyloxy)-4-methylsulfonyloxybutyl] ester
OPENEYE Name: [(2S,3S)-2,3-bis(ethoxycarbonyloxy)-4-methylsulfonyloxy-butyl] methanesulfonate
IUPAC Name: [(2S,3S)-2,3-bis(ethoxycarbonyloxy)-4-methylsulfonyloxybutyl] methanesulfonate
SYSTEMATIC NAME: [(2S,3S)-2,3-bis(ethoxycarbonyloxy)-4-methylsulfonyloxy-butyl] methanesulfonate
MOLECULAR FORMULA: C12H22O12S2
MOLECULAR WEIGHT: 422.42588
SMILES: CCOC(=O)O[C@@H](COS(=O)(=O)C)[C@H](COS(=O)(=O)C)OC(=O)OCC
Structure:
CAS RN: 4211-07-8
CAS Name: methanesulfonic acid [5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl ester
OPENEYE Name: [5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
IUPAC Name: [5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
SYSTEMATIC NAME: [5-(methylsulfonyloxymethyl)-2-oxidanylidene-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
MOLECULAR FORMULA: C6H12O9S3
MOLECULAR WEIGHT: 324.34908
SMILES: CS(=O)(=O)OCC1C(OS(=O)O1)COS(=O)(=O)C
Structure:
CAS RN: 7151-06-6
CAS Name: methanesulfonic acid [5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl ester
OPENEYE Name: [5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
IUPAC Name: [5-(methylsulfonyloxymethyl)-2-oxo-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
SYSTEMATIC NAME: [5-(methylsulfonyloxymethyl)-2-oxidanylidene-1,3,2-dioxathiolan-4-yl]methyl methanesulfonate
MOLECULAR FORMULA: C6H12O9S3
MOLECULAR WEIGHT: 324.34908
SMILES: CS(=O)(=O)OCC1C(OS(=O)O1)COS(=O)(=O)C
Structure:
CAS RN: 4353-44-0
CAS Name: 2-[(diphenylmethylene)amino]guanidine
OPENEYE Name: 2-(benzhydrylideneamino)guanidine
IUPAC Name: 2-(benzhydrylideneamino)guanidine
SYSTEMATIC NAME: 2-[(diphenylmethylidene)amino]guanidine
MOLECULAR FORMULA: C14H14N4
MOLECULAR WEIGHT: 238.28776
SMILES: C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2
Structure:
CAS RN: 20896-27-9
CAS Name: 9-methyl-6-(trifluoromethyl)-2-purinamine
OPENEYE Name: 9-methyl-6-(trifluoromethyl)purin-2-amine
IUPAC Name: 9-methyl-6-(trifluoromethyl)purin-2-amine
SYSTEMATIC NAME: 9-methyl-6-(trifluoromethyl)purin-2-amine
MOLECULAR FORMULA: C7H6F3N5
MOLECULAR WEIGHT: 217.15125
SMILES: CN1C=NC2=C(N=C(N=C21)N)C(F)(F)F
Structure:
CAS RN: 1911-14-4
CAS Name: 16,17-dihydroxy-13,16-dimethyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: 16,17-dihydroxy-13,16-dimethyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: 16,17-dihydroxy-13,16-dimethyl-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: 13,16-dimethyl-16,17-bis(oxidanyl)-1,2,6,7,8,9,10,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C19H28O3
MOLECULAR WEIGHT: 304.42382
SMILES: CC12CCC3C(C1CC(C2O)(C)O)CCC4=CC(=O)CCC34
Structure:
CAS RN: 21241-10-1
CAS Name: acetic acid [2-acetyloxy-2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] ester
OPENEYE Name: [2-acetoxy-2-(6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] acetate
IUPAC Name: [2-acetyloxy-2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] acetate
SYSTEMATIC NAME: [2-acetyloxy-2-(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] ethanoate
MOLECULAR FORMULA: C20H26O8
MOLECULAR WEIGHT: 394.41564
SMILES: CC(=O)OCC(C1C(C2C(O1)OC(O2)(C)C)OCC3=CC=CC=C3)OC(=O)C
Structure:
CAS RN: 26309-63-7
CAS Name: 1-[4-[2-(diaminomethylidene)hydrazinyl]-3-methylphenyl]iminoguanidine
OPENEYE Name: 1-[4-[2-(diaminomethylene)hydrazino]-3-methyl-phenyl]iminoguanidine
IUPAC Name: 1-[4-[2-(diaminomethylidene)hydrazinyl]-3-methylphenyl]iminoguanidine
SYSTEMATIC NAME: 1-[4-[2-[bis(azanyl)methylidene]hydrazinyl]-3-methyl-phenyl]iminoguanidine
MOLECULAR FORMULA: C9H14N8
MOLECULAR WEIGHT: 234.26106
SMILES: CC1=C(C=CC(=C1)N=NC(=N)N)NN=C(N)N
Structure:
CAS RN: 54306-01-3
CAS Name: (3aR,3bS,5aS,8aS,8bR)-6-acetyl-3a,5a-dimethyl-3b,4,5,8,8a,8b,9,10-octahydro-3H-indeno[5,4-e]inden-2-one
OPENEYE Name: (3aR,3bS,5aS,8aS,8bR)-6-acetyl-3a,5a-dimethyl-3b,4,5,8,8a,8b,9,10-octahydro-3H-indeno[5,4-e]inden-2-one
IUPAC Name: (3aR,3bS,5aS,8aS,8bR)-6-acetyl-3a,5a-dimethyl-3b,4,5,8,8a,8b,9,10-octahydro-3H-indeno[5,4-e]inden-2-one
SYSTEMATIC NAME: (3aR,3bS,5aS,8aS,8bR)-6-ethanoyl-3a,5a-dimethyl-3b,4,5,8,8a,8b,9,10-octahydro-3H-indeno[5,4-e]inden-2-one
MOLECULAR FORMULA: C20H26O2
MOLECULAR WEIGHT: 298.41924
SMILES: CC(=O)C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C[C@]34C)C
Structure:
CAS RN: 16369-14-5
CAS Name: 2-amino-1-pentanol
OPENEYE Name: 2-aminopentan-1-ol
IUPAC Name: 2-aminopentan-1-ol
SYSTEMATIC NAME: 2-azanylpentan-1-ol
MOLECULAR FORMULA: C5H13NO
MOLECULAR WEIGHT: 103.16282
SMILES: CCCC(CO)N
Structure:
CAS RN: 142896-11-5
CAS Name: 4,5,6-trichloro-2-phenylpyrimidine
OPENEYE Name: 4,5,6-trichloro-2-phenyl-pyrimidine
IUPAC Name: 4,5,6-trichloro-2-phenylpyrimidine
SYSTEMATIC NAME: 4,5,6-tris(chloranyl)-2-phenyl-pyrimidine
MOLECULAR FORMULA: C10H5Cl3N2
MOLECULAR WEIGHT: 259.5191
SMILES: C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)Cl)Cl
Structure:
CAS RN: 1199-53-7
CAS Name: 4,5,6-trichloro-2-propan-2-ylpyrimidine
OPENEYE Name: 4,5,6-trichloro-2-isopropyl-pyrimidine
IUPAC Name: 4,5,6-trichloro-2-propan-2-ylpyrimidine
SYSTEMATIC NAME: 4,5,6-tris(chloranyl)-2-propan-2-yl-pyrimidine
MOLECULAR FORMULA: C7H7Cl3N2
MOLECULAR WEIGHT: 225.50288
SMILES: CC(C)C1=NC(=C(C(=N1)Cl)Cl)Cl
Structure:
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