KC8
Summary
| Name: | 2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one |
| Formula: | C18 H16 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 320.345 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[4-[(4~{S})-4-methyl-2-oxidanylidene-imidazolidin-4-yl]phenyl]-3~{H}-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H16N4O2/c1-18(10-19-17(24)22-18)12-8-6-11(7-9-12)15-20-14-5-3-2-4-13(14)16(23)21-15/h2-9H,10H2,1H3,(H2,19,22,24)(H,20,21,23)/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | CVVFEJJXIBBZNQ-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
| SMILES | CACTVS | 3.385 | C[C]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@]1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CNC(=O)N1)c2ccc(cc2)C3=Nc4ccccc4C(=O)N3 |
