6RX
Summary
| Name: | (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione |
| Formula: | C18 H17 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 339.345 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (5~{S})-1-ethyl-5-(4-methylphenyl)-8,9-dihydro-5~{H}-furo[3,4]pyrido[3,5-~{b}]pyrimidine-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-9(2)5-7-10)13-11(19-15)8-25-17(13)23/h4-7,12,19H,3,8H2,1-2H3,(H,20,22,24)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | MUOCQMZJLRQTRD-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)NC(=O)C2=C1NC3=C([C@H]2c4ccc(C)cc4)C(=O)OC3 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)NC(=O)C2=C1NC3=C([CH]2c4ccc(C)cc4)C(=O)OC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCN1C2=C([C@@H](C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCN1C2=C(C(C3=C(N2)COC3=O)c4ccc(cc4)C)C(=O)NC1=O |
