UEB
Summary
| Name: | (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Synonyms: | 1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
| Formula: | C20 H18 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 362.448 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H18N4OS/c21-17(13-6-2-1-3-7-13)15-9-5-4-8-14(15)12-24-16-10-11-22-18(16)19(25)23-20(24)26/h1-11,17,22H,12,21H2,(H,23,25,26)/t17-/m1/s1 |
| InChIKey | InChI | 1.03 | JABFRGYJMKKWKF-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H](c1ccccc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34 |
| SMILES | CACTVS | 3.385 | N[CH](c1ccccc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2CN3c4cc[nH]c4C(=O)NC3=S)N |
