V2I
Summary
| Name: | ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate |
| Formula: | C14 H17 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 339.367 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17N3O5S/c1-3-22-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(7-5-9)23(15,20)21/h4-7,12H,3H2,1-2H3,(H2,15,20,21)(H2,16,17,19)/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | SRHRLXJWAANTMZ-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)C1=C(C)NC(=O)N[C@H]1c2ccc(cc2)[S](N)(=O)=O |
| SMILES | CACTVS | 3.385 | CCOC(=O)C1=C(C)NC(=O)N[CH]1c2ccc(cc2)[S](N)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1=C(NC(=O)N[C@H]1c2ccc(cc2)S(=O)(=O)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)C1=C(NC(=O)NC1c2ccc(cc2)S(=O)(=O)N)C |
