LWM
Summary
| Name: | [(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
| Formula: | C11 H18 N5 O7 P |
| Formal charge: | 0 |
| Formula weight: | 363.264 Da |
| Component type: | DNA linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.6 | [(1R,2S,4R)-4-[(2-azanyl-5-formamido-6-oxidanylidene-1H-pyrimidin-4-yl)amino]-2-oxidanyl-cyclopentyl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(NC=O)=C(N=C(N)N1)NC2CC(COP(=O)(O)O)C(O)C2 |
| InChI | InChI | 1.03 | InChI=1S/C11H18N5O7P/c12-11-15-9(8(13-4-17)10(19)16-11)14-6-1-5(7(18)2-6)3-23-24(20,21)22/h4-7,18H,1-3H2,(H,13,17)(H2,20,21,22)(H4,12,14,15,16,19)/t5-,6-,7+/m1/s1 |
| InChIKey | InChI | 1.03 | UQRLPMGPCBTFTR-QYNIQEEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NC1=NC(=C(NC=O)C(=O)N1)N[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)C2 |
| SMILES | CACTVS | 3.370 | NC1=NC(=C(NC=O)C(=O)N1)N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(CC(C1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2)N)NC=O |
