GA2
Summary
| Name: | 9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUANINE |
| Formula: | C9 H13 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 255.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-9-{[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl}-1,9-dihydro-6H-purin-6-one |
| OpenEye OEToolkits | 1.5.0 | 2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)-1H-purin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2NC(=Nc1c2ncn1COC(CO)CO)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2n(COC(CO)CO)cnc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2n(COC(CO)CO)cnc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1COC(CO)CO)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1nc2c(n1COC(CO)CO)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17) |
| InChIKey | InChI | 1.03 | IRSCQMHQWWYFCW-UHFFFAOYSA-N |
