4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | 8016-8856 |
| Compound Name: | 4,7-diamino-2-(methylsulfanyl)-5-(2,3,4-trimethoxyphenyl)-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C18 H19 N5 O4 S |
| Smiles: | COc1ccc(C2C(C#N)=C(N)Oc3c2c(N)nc(n3)SC)c(c1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.114 |
| logD: | 2.114 |
| logSw: | -2.76 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 108.267 |
| InChI Key: | JDMGWYNZBWGHIW-NSHDSACASA-N |