M3Z
6-[[methyl-(phenylmethyl)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 | 33 |
Chiral Atom Count | 0 |
Bond Count | 34 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
Systematic Name (OpenEye OEToolkits) | 6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
Formula | C13 H15 N3 O2 |
Molecular Weight | 245.277 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2 |
Canonical SMILES | CACTVS | 3.385 | CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CN(Cc1ccccc1)CC2=NC(=O)NC(=O)C2 |
InChI | InChI | 1.03 | InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18) |
InChIKey | InChI | 1.03 | RNBXCVLIBKJIGQ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 146018694 |