CBKinase1_012317
7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione
Also Known As: CBKinase1_012317|CBKinase1_024717|AB00390531-09|BRD-K34116606-001-01-5|7-(2-chloro-5-methoxybenzyl)-1,3-dimethyl-8-[(2-pyridinylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione|7-(2-chloro-5-methoxybenzyl)-1,3-dimethyl-8-((pyridin-2-ylmethyl)amino)-1H-purine-2,6(3H,7H)-dione|7-(2-chloro-5-methoxybenzyl)-1,3-dimethyl-8-[(pyridin-2-ylmethyl)amino]-3,7-dihydro-1H-purine-2,6-dione|7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione|7-[(2-CHLORO-5-METHOXYPHENYL)METHYL]-1,3-DIMETHYL-8-{[(PYRIDIN-2-YL)METHYL]AMINO}-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
| Molecular Formula | C21H21ClN6O3 |
|---|---|
| Molecular Weight | 440.13635 g/mol |
| LogP | 2.1511 |
| Topological Polar Surface Area | 95.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.13635 |
| Monoisotopic Mass | 440.13635 |
| Heavy Atoms | 31 |
| Complexity | 1374.1271 |
Chemical Identifiers
| CAS Number | 847847-01-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=N3)CC4=C(C=CC(=C4)OC)Cl |
Product Overview
CBKinase1_012317 (CAS 847847-01-2), with molecular formula C21H21ClN6O3 and molecular weight 440.13635 g/mol. IUPAC: 7-[(2-chloro-5-methoxyphenyl)methyl]-1,3-dimethyl-8-(pyridin-2-ylmethylamino)purine-2,6-dione.
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