CAS RN: 22031-58-9
CAS Name: (E)-3-(1-cyclohexenyl)-2-propenenitrile
OPENEYE Name: (E)-3-(cyclohexen-1-yl)prop-2-enenitrile
IUPAC Name: (E)-3-(cyclohexen-1-yl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(cyclohexen-1-yl)prop-2-enenitrile
MOLECULAR FORMULA: C9H11N
MOLECULAR WEIGHT: 133.19034
SMILES: C1CCC(=CC1)/C=C/C#N
Structure:
CAS RN: 22031-57-8
CAS Name: (E)-3-cyclohexyl-2-propenenitrile
OPENEYE Name: (E)-3-cyclohexylprop-2-enenitrile
IUPAC Name: (E)-3-cyclohexylprop-2-enenitrile
SYSTEMATIC NAME: (E)-3-cyclohexylprop-2-enenitrile
MOLECULAR FORMULA: C9H13N
MOLECULAR WEIGHT: 135.20622
SMILES: C1CCC(CC1)/C=C/C#N
Structure:
CAS RN: 67478-59-5
CAS Name: [(E)-2-bromoethenyl]cyclohexane
OPENEYE Name: [(E)-2-bromovinyl]cyclohexane
IUPAC Name: [(E)-2-bromoethenyl]cyclohexane
SYSTEMATIC NAME: [(E)-2-bromanylethenyl]cyclohexane
MOLECULAR FORMULA: C8H13Br
MOLECULAR WEIGHT: 189.09282
SMILES: C1CCC(CC1)/C=C/Br
Structure:
CAS RN: 78463-06-6
CAS Name: 1-[(E)-2-bromoethenyl]cyclohexene
OPENEYE Name: 1-[(E)-2-bromovinyl]cyclohexene
IUPAC Name: 1-[(E)-2-bromoethenyl]cyclohexene
SYSTEMATIC NAME: 1-[(E)-2-bromanylethenyl]cyclohexene
MOLECULAR FORMULA: C8H11Br
MOLECULAR WEIGHT: 187.07694
SMILES: C1CCC(=CC1)/C=C/Br
Structure:
CAS RN: 59025-32-0
CAS Name: 5-(aminomethylidene)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-(aminomethylene)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-(aminomethylidene)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-(azanylmethylidene)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C5H5N3O3
MOLECULAR WEIGHT: 155.1115
SMILES: C(=C1C(=O)NC(=O)NC1=O)N
Structure:
CAS RN: 70299-02-4
CAS Name: 2-amino-6,7-bis(bromomethyl)-1H-pteridin-4-one
OPENEYE Name: 2-amino-6,7-bis(bromomethyl)-1H-pteridin-4-one
IUPAC Name: 2-amino-6,7-bis(bromomethyl)-1H-pteridin-4-one
SYSTEMATIC NAME: 2-azanyl-6,7-bis(bromomethyl)-1H-pteridin-4-one
MOLECULAR FORMULA: C8H7Br2N5O
MOLECULAR WEIGHT: 348.98208
SMILES: C(C1=NC2=C(NC(=NC2=O)N)N=C1CBr)Br
Structure:
CAS RN: 53904-81-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C35H45NO11
MOLECULAR WEIGHT: 655.7319
SMILES: CC1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C(=C(C(=C3C2=O)O)C)O)C(=O)/C(=C\C(C(C(C(C(C(C(C1O)C)O)C)O)C)O)CO)/C)/C
Structure:
CAS RN: 6824-05-1
CAS Name: [[(E)-(3-oxo-2-quinoxalinylidene)methyl]amino]thiourea
OPENEYE Name: [[(E)-(3-oxoquinoxalin-2-ylidene)methyl]amino]thiourea
IUPAC Name: [[(E)-(3-oxoquinoxalin-2-ylidene)methyl]amino]thiourea
SYSTEMATIC NAME: 1-[[(E)-(3-oxidanylidenequinoxalin-2-ylidene)methyl]amino]thiourea
MOLECULAR FORMULA: C10H9N5OS
MOLECULAR WEIGHT: 247.27636
SMILES: C1=CC2=N/C(=C/NNC(=S)N)/C(=O)N=C2C=C1
Structure:
CAS RN: 52454-40-7
CAS Name: 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl]methyl-methylamino]benzoic acid methyl ester
OPENEYE Name: methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl]methyl-methyl-amino]benzoate
IUPAC Name: methyl 4-[[7-(ethoxycarbonylamino)-5-oxo-6H-pyrido[3,4-b]pyrazin-3-yl]methyl-methylamino]benzoate
SYSTEMATIC NAME: methyl 4-[[7-(ethoxycarbonylamino)-5-oxidanylidene-6H-pyrido[3,4-b]pyrazin-3-yl]methyl-methyl-amino]benzoate
MOLECULAR FORMULA: C20H21N5O5
MOLECULAR WEIGHT: 411.41124
SMILES: CCOC(=O)NC1=CC2=NC=C(N=C2C(=O)N1)CN(C)C3=CC=C(C=C3)C(=O)OC
Structure:
CAS RN: 21771-92-6
CAS Name: N-[(Z)-[(4E)-1,4-diphenyl-4-(phenylhydrazinylidene)butylidene]amino]aniline
OPENEYE Name: N-[(Z)-[(4E)-1,4-diphenyl-4-(phenylhydrazono)butylidene]amino]aniline
IUPAC Name: N-[(Z)-[(4E)-1,4-diphenyl-4-(phenylhydrazinylidene)butylidene]amino]aniline
SYSTEMATIC NAME: N-[(Z)-[(4E)-1,4-diphenyl-4-(phenylhydrazinylidene)butylidene]amino]aniline
MOLECULAR FORMULA: C28H26N4
MOLECULAR WEIGHT: 418.53284
SMILES: C1=CC=C(C=C1)/C(=N/NC2=CC=CC=C2)/CC/C(=N/NC3=CC=CC=C3)/C4=CC=CC=C4
Structure:
CAS RN: 38942-77-7
CAS Name: 1-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]-3-butylthiourea
OPENEYE Name: 1-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]-3-butyl-thiourea
IUPAC Name: 1-[6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-3-butylthiourea
SYSTEMATIC NAME: 1-butyl-3-[6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]thiourea
MOLECULAR FORMULA: C32H38N2O10S
MOLECULAR WEIGHT: 642.71652
SMILES: CCCCNC(=S)NC1CC(OC(C1O)C)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O
Structure:
CAS RN: 66975-16-4
CAS Name: 3-[[methyl(2-phenylethyl)amino]hydrazinylidene]-4-pyrazolecarboxamide
OPENEYE Name: 3-[[methyl(2-phenylethyl)amino]hydrazono]pyrazole-4-carboxamide
IUPAC Name: 3-[[methyl(2-phenylethyl)amino]hydrazinylidene]pyrazole-4-carboxamide
SYSTEMATIC NAME: 3-[[methyl(2-phenylethyl)amino]hydrazinylidene]pyrazole-4-carboxamide
MOLECULAR FORMULA: C13H16N6O
MOLECULAR WEIGHT: 272.30574
SMILES: CN(CCC1=CC=CC=C1)NN=C2C(=CN=N2)C(=O)N
Structure:
CAS RN: 50696-28-1
CAS Name: [[(E)-(5-oxo-2-pyridinylidene)methyl]amino]urea
OPENEYE Name: [[(E)-(5-oxo-2-pyridylidene)methyl]amino]urea
IUPAC Name: [[(E)-(5-oxopyridin-2-ylidene)methyl]amino]urea
SYSTEMATIC NAME: 1-[[(E)-(5-oxidanylidenepyridin-2-ylidene)methyl]amino]urea
MOLECULAR FORMULA: C7H8N4O2
MOLECULAR WEIGHT: 180.16402
SMILES: C1=C/C(=C\NNC(=O)N)/N=CC1=O
Structure:
CAS RN: 38328-83-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C50H72N4O12
MOLECULAR WEIGHT: 921.12628
SMILES: CCCCCCCCN1CCN(CC1)NC=C2C3=C(C4=C(C(=C5C(=C4C2=O)C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 21240-39-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H54N2O13
MOLECULAR WEIGHT: 806.89446
SMILES: CCOC(=O)C1=C(NC2=C1C3=C(C4=C2C5=C(C(=C4O)C)OC(C5=O)(O/C=C\C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)N3)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O)C
Structure:
CAS RN: 4075-44-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H59N3O12
MOLECULAR WEIGHT: 809.94146
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H](C([C@@H](C([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C(=C2CN5CCN(CC5)C)O)O)/C
Structure:
CAS RN: 35966-91-7
CAS Name: 5-[4-(diaminomethylidene)-5-imino-1-imidazolyl]-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-[4-(diaminomethylene)-5-imino-imidazol-1-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-[4-(diaminomethylidene)-5-iminoimidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 5-[5-azanylidene-4-[bis(azanyl)methylidene]imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
MOLECULAR FORMULA: C9H15N5O3
MOLECULAR WEIGHT: 241.2471
SMILES: C1C(C(OC1N2C=NC(=C(N)N)C2=N)CO)O
Structure:
CAS RN: 23477-98-7
CAS Name: acetic acid [(4E,6E,10E,12E)-14-(1,2-dioxopropylamino)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] ester
OPENEYE Name: [(4E,6E,10E,12E)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] acetate
IUPAC Name: [(4E,6E,10E,12E)-9-hydroxy-6,12,15,18-tetramethyl-16,19-dioxo-14-(2-oxopropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] acetate
SYSTEMATIC NAME: [(4E,6E,10E,12E)-6,12,15,18-tetramethyl-9-oxidanyl-16,19-bis(oxidanylidene)-14-(2-oxidanylidenepropanoylamino)-17-oxabicyclo[13.2.2]nonadeca-4,6,10,12-tetraen-3-yl] ethanoate
MOLECULAR FORMULA: C27H35NO8
MOLECULAR WEIGHT: 501.5687
SMILES: CC1C2CC(/C=C/C(=C/CC(/C=C/C(=C/C(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)/C)O)/C)OC(=O)C
Structure:
CAS RN: 66959-28-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H6N2O5
MOLECULAR WEIGHT: 258.18644
SMILES: C1=CC(=C2C(=CC=C3C2=C1C(=O)N3)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 3608-75-1
CAS Name: [(E)-2-pyridinylmethylideneamino]thiourea
OPENEYE Name: [(E)-2-pyridylmethyleneamino]thiourea
IUPAC Name: [(E)-pyridin-2-ylmethylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-pyridin-2-ylmethylideneamino]thiourea
MOLECULAR FORMULA: C7H8N4S
MOLECULAR WEIGHT: 180.23022
SMILES: C1=CC=NC(=C1)/C=N/NC(=S)N
Structure:
CAS RN: 61043-10-5
CAS Name: [(E)-2-pyridinylmethylideneamino]thiourea
OPENEYE Name: [(E)-2-pyridylmethyleneamino]thiourea
IUPAC Name: [(E)-pyridin-2-ylmethylideneamino]thiourea
SYSTEMATIC NAME: 1-[(E)-pyridin-2-ylmethylideneamino]thiourea
MOLECULAR FORMULA: C7H8N4S
MOLECULAR WEIGHT: 180.23022
SMILES: C1=CC=NC(=C1)/C=N/NC(=S)N
Structure:
CAS RN: 27542-17-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O6
MOLECULAR WEIGHT: 348.39026
SMILES: C/C/1=C\[C@@H]2[C@@H]([C@@H](C[C@@]3([C@H](O3)C[C@@H]1O)C)OC(=O)C(=C)C)C(=C)C(=O)O2
Structure:
CAS RN: 4075-47-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N2O12
MOLECULAR WEIGHT: 808.9534
SMILES: CC1CCN(CC1)CC2=C(C3=C4C(=C(C5=C3C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)NC2=C4O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 4075-46-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C44H60N2O12
MOLECULAR WEIGHT: 808.9534
SMILES: CC1CCCCN1CC2=C(C3=C4C(=C(C5=C3C(=O)C(O5)(O/C=C/C(C(C(C(C(C(C(C(/C=C/C=C(/C(=O)NC2=C4O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)C)O)O
Structure:
CAS RN: 4233-83-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H62N2O12
MOLECULAR WEIGHT: 822.97998
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2CN(C)C5CCCCC5)O)O)\C
Structure:
CAS RN: 4075-42-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H56N2O12
MOLECULAR WEIGHT: 780.90024
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2CN5CCCC5)O)O)\C
Structure:
CAS RN: 4075-43-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H56N2O13
MOLECULAR WEIGHT: 796.89964
SMILES: CC1/C=C/C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2CN5CCOCC5)O)O)\C
Structure:
CAS RN: 38123-25-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H69N3O13
MOLECULAR WEIGHT: 896.07376
SMILES: CCCN(CCC)N(CCC)C(=O)COC1=C2C3=C(C(=C1)NC(=O)/C(=C/C=C/C(C(C(C(C(C(C(C(/C=C/OC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)/C)O
Structure:
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