| PDB CCD ID: | NPR |
| Number of entries in BioLiP: | 17 |
| Chemical formula: | C9 H13 N5 O4 |
| InChI: | InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6-/m0/s1 |
| InChIKey: | YQIFAMYNGGOTFB-NJGYIYPDSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | NC1=NC(=O)C2=C(NCC(=N2)[CH](O)[CH](O)CO)N1 | | OpenEye OEToolkits 1.5.0 | C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(CO)O)O | | CACTVS 3.341 | NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@@H](O)CO)N1 | | ACDLabs 10.04 | O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)CO)N | | OpenEye OEToolkits 1.5.0 | C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([C@@H](CO)O)O |
|
| Name: | 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE;
7,8-DIHYDRONEOPTERIN |
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