A1JWP
Summary
| Name: | N-[(2S)-3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-1-(methylamino)-1-oxidanylidene-propan-2-yl]-6-methoxy-3H-imidazo[4,5-b]pyridine-7-carboxamide |
| Formula: | C16 H17 N7 O5 |
| Formal charge: | 0 |
| Formula weight: | 387.35 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-3-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-1-(methylamino)-1-oxidanylidene-propan-2-yl]-6-methoxy-3~{H}-imidazo[4,5-b]pyridine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H17N7O5/c1-17-14(25)8(6-23-4-3-10(24)22-16(23)27)21-15(26)11-9(28-2)5-18-13-12(11)19-7-20-13/h3-5,7-8H,6H2,1-2H3,(H,17,25)(H,21,26)(H,18,19,20)(H,22,24,27)/t8-/m0/s1 |
| InChIKey | InChI | 1.06 | JZNHAZVUBIUQBS-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@H](CN1C=CC(=O)NC1=O)NC(=O)c2c(OC)cnc3[nH]cnc23 |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH](CN1C=CC(=O)NC1=O)NC(=O)c2c(OC)cnc3[nH]cnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)[C@H](CN1C=CC(=O)NC1=O)NC(=O)c2c(cnc3c2nc[nH]3)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)C(CN1C=CC(=O)NC1=O)NC(=O)c2c(cnc3c2nc[nH]3)OC |
