AC1LE4UV
6-imino-11-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile
Also Known As: BAS 04995445|AF-399/41399350|1-ALLYL-2-IMINO-10-METHYL-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-3-YL CYANIDE|1-allyl-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carbonitrile|1-allyl-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile|2-imino-10-methyl-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile
| Molecular Formula | C16H13N5O |
|---|---|
| Molecular Weight | 291.112 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.112 |
| Monoisotopic Mass | 291.112 |
| Heavy Atoms | 22 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 488716-91-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC=C)C#N |
| InChIKey | FTOJXGVLWXBTHD-UHFFFAOYSA-N |
Product Overview
AC1LE4UV (CAS 488716-91-2), with molecular formula C16H13N5O and molecular weight 291.112 g/mol. IUPAC: 6-imino-11-methyl-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carbonitrile.
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