| PDB CCD ID: | N6A |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C18 H18 N4 O4 S |
| InChI: | InChI=1S/C18H18N4O4S/c1-21(27(25,26)14-10-6-3-7-11-14)15-16(19)22(18(24)20-17(15)23)12-13-8-4-2-5-9-13/h2-11H,12,19H2,1H3,(H,20,23,24) |
| InChIKey: | NTXAKLDOOQBMCR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CN(C1=C(N(C(=O)NC1=O)Cc2ccccc2)N)S(=O)(=O)c3ccccc3 | | CACTVS 3.385 | CN(C1=C(N)N(Cc2ccccc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3 | | ACDLabs 12.01 | O=S(=O)(c1ccccc1)N(C2=C(N)N(C(=O)NC2=O)Cc3ccccc3)C |
|
| Name: | N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzenesulfonamide |
| ChEMBL: | CHEMBL5083837 |
| ZINC: | ZINC000095921415 |
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