AP4
Summary
| Name: | 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE |
| Synonyms: | 5,6-CYCLIC-TETRAHYDROPTERIDINE |
| Formula: | C8 H9 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 223.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (6aR)-3-amino-5,6,6a,7-tetrahydro[1,3]oxazolo[3,4-f]pteridine-1,9(2H)-dione |
| OpenEye OEToolkits | 1.5.0 | (6aR)-3-amino-5,6,6a,7-tetrahydro-2H-[1,3]oxazolo[3,4-f]pteridine-1,9-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C3=C(N=C(N)N1)NCC2N3C(=O)OC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC2=C(N3[C@H](CN2)COC3=O)C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=NC2=C(N3[CH](CN2)COC3=O)C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C2COC(=O)N2C3=C(N1)N=C(NC3=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H9N5O3/c9-7-11-5-4(6(14)12-7)13-3(1-10-5)2-16-8(13)15/h3H,1-2H2,(H4,9,10,11,12,14)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | XAZOBOCYEGBXHD-GSVOUGTGSA-N |
