M4Q
6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Created: | 2019-10-03 |
Last modified: | 2020-03-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
Systematic Name (OpenEye OEToolkits) | 6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
Formula | C11 H13 N3 O2 S |
Molecular Weight | 251.305 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN(CC1=NC(=O)NC(=O)C1)Cc2cscc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2 |
Canonical SMILES | CACTVS | 3.385 | CN(CC1=NC(=O)NC(=O)C1)Cc2cscc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccsc1)CC2=NC(=O)NC(=O)C2 |
InChI | InChI | 1.03 | InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-17-7-8)6-9-4-10(15)13-11(16)12-9/h2-3,7H,4-6H2,1H3,(H,13,15,16) |
InChIKey | InChI | 1.03 | MSXKBXFEBNYDJX-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 146018696 |