W8Z
Summary
Name: | 5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
Formula: | C19 H18 N2 O6 |
Formal charge: | 0 |
Formula weight: | 370.356 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 5-{2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
OpenEye OEToolkits | 1.7.6 | 5-[2-[3-(methoxymethoxy)naphthalen-2-yl]ethyl]-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1NC(C(=O)O)=C(C(=O)N1)CCc3cc2ccccc2cc3OCOC |
InChI | InChI | 1.03 | InChI=1S/C19H18N2O6/c1-26-10-27-15-9-12-5-3-2-4-11(12)8-13(15)6-7-14-16(18(23)24)20-19(25)21-17(14)22/h2-5,8-9H,6-7,10H2,1H3,(H,23,24)(H2,20,21,22,25) |
InChIKey | InChI | 1.03 | UIWLSMYBMFEGSE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O |
SMILES | CACTVS | 3.370 | COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | COCOc1cc2ccccc2cc1CCC3=C(NC(=O)NC3=O)C(=O)O |