APQ
Summary
| Name: | 2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-3H-QUINAZOLINE-4-ONE |
| Formula: | C12 H16 N4 O S |
| Formal charge: | 0 |
| Formula weight: | 264.347 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2,6-diamino-8-[(propylsulfanyl)methyl]quinazolin-4(3H)-one |
| OpenEye OEToolkits | 1.5.0 | 2,6-diamino-8-(propylsulfanylmethyl)-3H-quinazolin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1c2c(N=C(N1)N)c(cc(N)c2)CSCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCSCc1cc(N)cc2C(=O)NC(=Nc12)N |
| SMILES | CACTVS | 3.341 | CCCSCc1cc(N)cc2C(=O)NC(=Nc12)N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCSCc1cc(cc2c1N=C(NC2=O)N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCSCc1cc(cc2c1N=C(NC2=O)N)N |
| InChI | InChI | 1.03 | InChI=1S/C12H16N4OS/c1-2-3-18-6-7-4-8(13)5-9-10(7)15-12(14)16-11(9)17/h4-5H,2-3,6,13H2,1H3,(H3,14,15,16,17) |
| InChIKey | InChI | 1.03 | RSKNEWMEOVQZII-UHFFFAOYSA-N |
