AC1LJD3L
7-benzyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: 1-benzyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile|1-benzyl-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile|1-Benzyl-2-imino-8-methyl-10-oxo-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carbonitrile|2-imino-10-methyl-5-oxo-1-benzyl-1,6-dihydropyridino[2,3-d]pyridino[1,2-a]pyri midine-3-carbonitrile
| Molecular Formula | C20H15N5O |
|---|---|
| Molecular Weight | 341.12766 g/mol |
| LogP | 2.35707 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 341.12766 |
| Monoisotopic Mass | 341.12766 |
| Heavy Atoms | 26 |
| Complexity | 1310.097 |
Chemical Identifiers
| CAS Number | 489441-90-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=CC=C4)C#N |
Product Overview
AC1LJD3L (CAS 489441-90-9), with molecular formula C20H15N5O and molecular weight 341.12766 g/mol. IUPAC: 7-benzyl-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
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