I82
~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Created: | 2022-02-17 |
Last modified: | 2022-08-22 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 30 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | ~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
Systematic Name (OpenEye OEToolkits) | ~{N}-methyl-3-phenyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
Formula | C12 H11 N5 |
Molecular Weight | 225.249 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CNc1ncnc2c([nH]nc12)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c([nH]n2)c3ccccc3)ncn1 |
Canonical SMILES | CACTVS | 3.385 | CNc1ncnc2c([nH]nc12)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CNc1c2c(c([nH]n2)c3ccccc3)ncn1 |
InChI | InChI | 1.06 | InChI=1S/C12H11N5/c1-13-12-11-10(14-7-15-12)9(16-17-11)8-5-3-2-4-6-8/h2-7H,1H3,(H,16,17)(H,13,14,15) |
InChIKey | InChI | 1.06 | XIEMFNUUOUPBSW-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 162639783 |