M4K
6-[[cyclopropyl-(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 | 37 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
Systematic Name (OpenEye OEToolkits) | 6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione |
Formula | C15 H17 N3 O2 |
Molecular Weight | 271.314 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3 |
Canonical SMILES | CACTVS | 3.385 | O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN(CC2=NC(=O)NC(=O)C2)C3CC3 |
InChI | InChI | 1.03 | InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20) |
InChIKey | InChI | 1.03 | DKPZCWNOVJTLGU-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 146018695 |