CAS RN: 97315-60-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: C1CC2=CC(=CC3=C2N(C1)CCC3)C#N
Structure:
CAS RN: 100796-22-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22N2O
MOLECULAR WEIGHT: 258.35868
SMILES: CCCC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2
Structure:
CAS RN: 41432-72-8
CAS Name: 1-(1-hydroxybutan-2-yl)-3-(1-naphthalenyl)urea
OPENEYE Name: 1-[1-(hydroxymethyl)propyl]-3-(1-naphthyl)urea
IUPAC Name: 1-(1-hydroxybutan-2-yl)-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1-naphthalen-1-yl-3-(1-oxidanylbutan-2-yl)urea
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: CCC(CO)NC(=O)NC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 100957-91-3
CAS Name: 1-(1-hydroxybutan-2-yl)-3-(1-naphthalenyl)urea
OPENEYE Name: 1-[1-(hydroxymethyl)propyl]-3-(1-naphthyl)urea
IUPAC Name: 1-(1-hydroxybutan-2-yl)-3-naphthalen-1-ylurea
SYSTEMATIC NAME: 1-naphthalen-1-yl-3-(1-oxidanylbutan-2-yl)urea
MOLECULAR FORMULA: C15H18N2O2
MOLECULAR WEIGHT: 258.31562
SMILES: CCC(CO)NC(=O)NC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 1025-58-7
CAS Name: 1-(2-chloropropyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
OPENEYE Name: 1-(2-chloropropyl)-3-tetralin-5-yl-urea
IUPAC Name: 1-(2-chloropropyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SYSTEMATIC NAME: 1-(2-chloranylpropyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
MOLECULAR FORMULA: C14H19ClN2O
MOLECULAR WEIGHT: 266.76646
SMILES: CC(CNC(=O)NC1=CC=CC2=C1CCCC2)Cl
Structure:
CAS RN: 1025-36-1
CAS Name: 1-(2-chloroethyl)-3-[3-(methylthio)phenyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-(3-methylsulfanylphenyl)urea
IUPAC Name: 1-(2-chloroethyl)-3-(3-methylsulfanylphenyl)urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-(3-methylsulfanylphenyl)urea
MOLECULAR FORMULA: C10H13ClN2OS
MOLECULAR WEIGHT: 244.74102
SMILES: CSC1=CC=CC(=C1)NC(=O)NCCCl
Structure:
CAS RN: 102433-22-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H25N3O
MOLECULAR WEIGHT: 287.3999
SMILES: CCN(CC)C(=O)NC1=CC2=C3C(=C1)CCCN3CCC2
Structure:
CAS RN: 101667-97-4
CAS Name: 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethyl-1-cyclohex-2-enone
OPENEYE Name: 2-bromo-3,5,5-trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohex-2-en-1-one
IUPAC Name: 2-bromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 2-bromanyl-6-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-3,5,5-trimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C12H13BrF6O2
MOLECULAR WEIGHT: 383.124839
SMILES: CC1=C(C(=O)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)Br
Structure:
CAS RN: 102259-71-2
CAS Name: acetic acid; 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
OPENEYE Name: acetic acid; 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
IUPAC Name: acetic acid; 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
SYSTEMATIC NAME: ethanoic acid; 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanamine
MOLECULAR FORMULA: C14H22N2O2
MOLECULAR WEIGHT: 250.33668
SMILES: CC1CCC2=CC=CC=C2N1CCN.CC(=O)O
Structure:
CAS RN: 28277-68-1
CAS Name: 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
IUPAC Name: ethyl 3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate
SYSTEMATIC NAME: ethyl 3-[6-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]prop-2-enoate
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: CCOC(=O)C=CC1=C(NC(=O)NC1=O)C
Structure:
CAS RN: 40374-17-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H40N4O6
MOLECULAR WEIGHT: 564.6725
SMILES: CCCCN1C(=O)CC2(C1=O)C3C(C4N2C=CC5=CCC6C(C45)C(=O)N(C6=O)CCCC)C(=O)N(C3=O)CCCC
Structure:
CAS RN: 67845-49-2
CAS Name: 1-[(4-bromophenyl)methyl]-7-isoquinolinol
OPENEYE Name: 1-[(4-bromophenyl)methyl]isoquinolin-7-ol
IUPAC Name: 1-[(4-bromophenyl)methyl]isoquinolin-7-ol
SYSTEMATIC NAME: 1-[(4-bromophenyl)methyl]isoquinolin-7-ol
MOLECULAR FORMULA: C16H12BrNO
MOLECULAR WEIGHT: 314.17658
SMILES: C1=CC(=CC2=C1C=CN=C2CC3=CC=C(C=C3)Br)O
Structure:
CAS RN: 55671-58-4
CAS Name: 2-(cyclohexylmethyl)pentadecylcyclohexane
OPENEYE Name: 2-(cyclohexylmethyl)pentadecylcyclohexane
IUPAC Name: 2-(cyclohexylmethyl)pentadecylcyclohexane
SYSTEMATIC NAME: 2-(cyclohexylmethyl)pentadecylcyclohexane
MOLECULAR FORMULA: C28H54
MOLECULAR WEIGHT: 390.72836
SMILES: CCCCCCCCCCCCCC(CC1CCCCC1)CC2CCCCC2
Structure:
CAS RN: 55730-95-5
CAS Name: 1-heneicosan-11-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
OPENEYE Name: 1-(1-decylundecyl)decalin
IUPAC Name: 1-henicosan-11-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SYSTEMATIC NAME: 1-henicosan-11-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
MOLECULAR FORMULA: C31H60
MOLECULAR WEIGHT: 432.8081
SMILES: CCCCCCCCCCC(CCCCCCCCCC)C1CCCC2C1CCCC2
Structure:
CAS RN: 6436-59-5
CAS Name: 2-methyl-4-thiazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-methylthiazole-4-carboxylate
IUPAC Name: ethyl 2-methyl-1,3-thiazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-methyl-1,3-thiazole-4-carboxylate
MOLECULAR FORMULA: C7H9NO2S
MOLECULAR WEIGHT: 171.21686
SMILES: CCOC(=O)C1=CSC(=N1)C
Structure:
CAS RN: 39229-12-4
CAS Name: thiocyanic acid [1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl] ester
OPENEYE Name: [1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl] thiocyanate
IUPAC Name: [1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl] thiocyanate
SYSTEMATIC NAME: [1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl] thiocyanate
MOLECULAR FORMULA: C10H11N3O5S
MOLECULAR WEIGHT: 285.27644
SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)SC#N)CO)O
Structure:
CAS RN: 18989-80-5
CAS Name: 2,6-bis[(3,4-dichlorophenyl)methylidene]-1-cyclohexanone
OPENEYE Name: 2,6-bis[(3,4-dichlorophenyl)methylene]cyclohexanone
IUPAC Name: 2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one
SYSTEMATIC NAME: 2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one
MOLECULAR FORMULA: C20H14Cl4O
MOLECULAR WEIGHT: 412.13656
SMILES: C1CC(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)C1
Structure:
CAS RN: 42855-38-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H34O3
MOLECULAR WEIGHT: 334.49286
SMILES: CCC1(CCC23C4(CCCC(C4CCC2(C1)O3)(C)C(=O)OC)C)C
Structure:
CAS RN: 20367-33-3
CAS Name: 1-(2,3-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
OPENEYE Name: 1-(2,3-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
IUPAC Name: 1-(2,3-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 1-[2,3-bis(chloranyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C11H13Cl2N5
MOLECULAR WEIGHT: 286.16042
SMILES: CC1(N=C(N=C(N1C2=C(C(=CC=C2)Cl)Cl)N)N)C
Structure:
CAS RN: 829-13-0
CAS Name: 2-amino-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
OPENEYE Name: 2-amino-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
IUPAC Name: 2-amino-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SYSTEMATIC NAME: 2-azanyl-4-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
MOLECULAR FORMULA: C8H10N4O
MOLECULAR WEIGHT: 178.1912
SMILES: CC1=C2CCC(=O)NC2=NC(=N1)N
Structure:
CAS RN: 29113-34-6
CAS Name: 4-oxo-1H-quinazoline-2-carboxylic acid
OPENEYE Name: 4-oxo-1H-quinazoline-2-carboxylic acid
IUPAC Name: 4-oxo-1H-quinazoline-2-carboxylic acid
SYSTEMATIC NAME: 4-oxidanylidene-1H-quinazoline-2-carboxylic acid
MOLECULAR FORMULA: C9H6N2O3
MOLECULAR WEIGHT: 190.15554
SMILES: C1=CC=C2C(=C1)C(=O)N=C(N2)C(=O)O
Structure:
CAS RN: 29113-33-5
CAS Name: 4-oxo-1H-quinazoline-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-oxo-1H-quinazoline-2-carboxylate
IUPAC Name: ethyl 4-oxo-1H-quinazoline-2-carboxylate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-1H-quinazoline-2-carboxylate
MOLECULAR FORMULA: C11H10N2O3
MOLECULAR WEIGHT: 218.2087
SMILES: CCOC(=O)C1=NC(=O)C2=CC=CC=C2N1
Structure:
CAS RN: 28772-37-4
CAS Name: 5-benzamido-2-hydroxybenzoic acid
OPENEYE Name: 5-benzamido-2-hydroxy-benzoic acid
IUPAC Name: 5-benzamido-2-hydroxybenzoic acid
SYSTEMATIC NAME: 5-benzamido-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)C(=O)O
Structure:
CAS RN: 602-00-6
CAS Name: 3-hydroxy-2-nitrobenzoic acid
OPENEYE Name: 3-hydroxy-2-nitro-benzoic acid
IUPAC Name: 3-hydroxy-2-nitrobenzoic acid
SYSTEMATIC NAME: 2-nitro-3-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5NO5
MOLECULAR WEIGHT: 183.1183
SMILES: C1=CC(=C(C(=C1)O)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 56382-90-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H19N3O4
MOLECULAR WEIGHT: 329.35046
SMILES: COC(=O)C12C3CCC(C3)C1(N(N=N2)C4=CC=CC=C4)C(=O)OC
Structure:
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