X0T
Summary
Name: | 7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE |
Synonyms: | DIPROPHYLLINE |
Formula: | C10 H14 N4 O4 |
Formal charge: | 0 |
Formula weight: | 254.243 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | 7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
OpenEye OEToolkits | 1.6.1 | 7-[(2S)-2,3-dihydroxypropyl]-1,3-dimethyl-purine-2,6-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C2N(c1ncn(c1C(=O)N2C)CC(O)CO)C |
SMILES_CANONICAL | CACTVS | 3.352 | CN1C(=O)N(C)c2ncn(C[C@H](O)CO)c2C1=O |
SMILES | CACTVS | 3.352 | CN1C(=O)N(C)c2ncn(C[CH](O)CO)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CN1c2c(n(cn2)C[C@@H](CO)O)C(=O)N(C1=O)C |
SMILES | OpenEye OEToolkits | 1.6.1 | CN1c2c(n(cn2)CC(CO)O)C(=O)N(C1=O)C |
InChI | InChI | 1.03 | InChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3/t6-/m0/s1 |
InChIKey | InChI | 1.03 | KSCFJBIXMNOVSH-LURJTMIESA-N |