8M9
4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
Created: | 2017-08-04 |
Last modified: | 2017-08-30 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine |
Systematic Name (OpenEye OEToolkits) | 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine |
Formula | C14 H15 Cl N6 O |
Molecular Weight | 318.762 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl |
Canonical SMILES | CACTVS | 3.385 | COc1c(C)cnc(Cn2ncc3c(Cl)nc(N)nc23)c1C |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cnc(c(c1OC)C)Cn2c3c(cn2)c(nc(n3)N)Cl |
InChI | InChI | 1.03 | InChI=1S/C14H15ClN6O/c1-7-4-17-10(8(2)11(7)22-3)6-21-13-9(5-18-21)12(15)19-14(16)20-13/h4-5H,6H2,1-3H3,(H2,16,19,20) |
InChIKey | InChI | 1.03 | IKGRZHVFOMUXCQ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4080323 |
PubChem | 58762794 |
ChEMBL | CHEMBL4080323 |