344
Summary
| Name: | 6-AMINO-3,7-DIHYDRO-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE |
| Formula: | C9 H7 N5 O |
| Formal charge: | 0 |
| Formula weight: | 201.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 6-amino-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
| OpenEye OEToolkits | 1.5.0 | 6-amino-3,7-dihydroimidazo[4,5-g]quinazolin-8-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c3c(N=C(N)N1)cc2c(ncn2)c3 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=Nc2cc3[nH]cnc3cc2C(=O)N1 |
| SMILES | CACTVS | 3.341 | NC1=Nc2cc3[nH]cnc3cc2C(=O)N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c2c(cc3c1nc[nH]3)N=C(NC2=O)N |
| InChI | InChI | 1.03 | InChI=1S/C9H7N5O/c10-9-13-5-2-7-6(11-3-12-7)1-4(5)8(15)14-9/h1-3H,(H,11,12)(H3,10,13,14,15) |
| InChIKey | InChI | 1.03 | VQSMWFVKBKMHTO-UHFFFAOYSA-N |
