| PDB CCD ID: | AP4 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C8 H9 N5 O3 |
| InChI: | 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: | XAZOBOCYEGBXHD-GSVOUGTGSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NC1=NC2=C(N3[CH](CN2)COC3=O)C(=O)N1 | | ACDLabs 10.04 | O=C1C3=C(N=C(N)N1)NCC2N3C(=O)OC2 | | OpenEye OEToolkits 1.5.0 | C1C2COC(=O)N2C3=C(N1)N=C(NC3=O)N | | OpenEye OEToolkits 1.5.0 | C1[C@@H]2COC(=O)N2C3=C(N1)N=C(NC3=O)N | | CACTVS 3.341 | NC1=NC2=C(N3[C@H](CN2)COC3=O)C(=O)N1 |
|
| Name: | 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE;
5,6-CYCLIC-TETRAHYDROPTERIDINE |
| DrugBank: | DB03332 |
| ZINC: | ZINC000012503472 |
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