87Y
Summary
| Name: | 7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL-7-[2-PHENYLETHYL]-PTERIN |
| Synonyms: | 2-AMINO-6-HYDROXYMETHYL-7-METHYL-7-PHENETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE 7,8-DIHYDRO-6-HYDROXYMETHYL-7-METHYL-7-[2-PHENYLETHYL]-PTERIN |
| Formula: | C16 H19 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 313.354 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (7S)-2-amino-6-(hydroxymethyl)-7-methyl-7-(2-phenylethyl)-7,8-dihydropteridin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | (7S)-2-amino-6-(hydroxymethyl)-7-methyl-7-phenethyl-3,8-dihydropteridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C=2N=C(CO)C(NC=2N=C(N1)N)(CCc3ccccc3)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@]1(CCc2ccccc2)NC3=C(N=C1CO)C(=O)NC(=N3)N |
| SMILES | CACTVS | 3.341 | C[C]1(CCc2ccccc2)NC3=C(N=C1CO)C(=O)NC(=N3)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@]1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1(C(=NC2=C(N1)N=C(NC2=O)N)CO)CCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H19N5O2/c1-16(8-7-10-5-3-2-4-6-10)11(9-22)18-12-13(21-16)19-15(17)20-14(12)23/h2-6,22H,7-9H2,1H3,(H4,17,19,20,21,23)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | XMFJTCGUDFSWSW-INIZCTEOSA-N |
