KDX
Summary
| Name: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| Formula: | C11 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 215.208 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
| OpenEye OEToolkits | 2.0.7 | 9-methoxy-3,5-dihydropyrimido[5,4-b]indol-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cccc2[NH]c3c(N=CNC3=O)c21 |
| InChI | InChI | 1.03 | InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15) |
| InChIKey | InChI | 1.03 | LQIHYZDCTRTCLG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc2[nH]c3C(=O)NC=Nc3c12 |
| SMILES | CACTVS | 3.385 | COc1cccc2[nH]c3C(=O)NC=Nc3c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc2c1c3c([nH]2)C(=O)NC=N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc2c1c3c([nH]2)C(=O)NC=N3 |
