AC1MFXJA
7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
Also Known As: Oprea1_733392|Oprea1_845683|7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile|F1159-0046|7-amino-2-(benzylthio)-5-isopropyl-4-oxo-4,5-dihydro-3H-pyrano[2,3-d]pyrimidine-6-carbonitrile|7-amino-2-(benzylsulfanyl)-4-oxo-5-(propan-2-yl)-3,5-dihydro-4H-pyrano[2,3-d]pyrimidine-6-carbonitrile|7-AMINO-2-(BENZYLSULFANYL)-5-ISOPROPYL-4-OXO-3,5-DIHYDRO-4H-PYRANO[2,3-D]PYRIMIDIN-6-YL CYANIDE
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.11505 g/mol |
| LogP | 2.88808 |
| Topological Polar Surface Area | 104.79 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.11505 |
| Monoisotopic Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 912.9087 |
Chemical Identifiers
| CAS Number | 536719-76-3 |
|---|---|
| SMILES | CC(C)C1C(=C(OC2=C1C(=O)NC(=N2)SCC3=CC=CC=C3)N)C#N |
Product Overview
AC1MFXJA (CAS 536719-76-3), with molecular formula C18H18N4O2S and molecular weight 354.11505 g/mol. IUPAC: 7-amino-2-benzylsulfanyl-4-oxo-5-propan-2-yl-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
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