WSD
Summary
Name: | 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one |
Formula: | C10 H13 N5 O2 |
Formal charge: | 0 |
Formula weight: | 235.243 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one |
OpenEye OEToolkits | 1.7.6 | 2-azanyl-6-ethanoyl-7,7-dimethyl-3,8-dihydropteridin-4-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C2NC(=NC1=C2N=C(C(=O)C)C(N1)(C)C)N |
InChI | InChI | 1.03 | InChI=1S/C10H13N5O2/c1-4(16)6-10(2,3)15-7-5(12-6)8(17)14-9(11)13-7/h1-3H3,(H4,11,13,14,15,17) |
InChIKey | InChI | 1.03 | WLVJPLIOOQQZAE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C1=NC2=C(NC1(C)C)N=C(N)NC2=O |
SMILES | CACTVS | 3.385 | CC(=O)C1=NC2=C(NC1(C)C)N=C(N)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)C1=NC2=C(NC1(C)C)N=C(NC2=O)N |