AC1LL7ZH
methyl 7-(3-imidazol-1-ylpropyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: BAS 05509371|methyl 7-[3-(1H-imidazol-1-yl)propyl]-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate|methyl 1-(3-imidazolylpropyl)-2-imino-10-methyl-5-oxo-1,6-dihydropyridino[2,3- d]pyridino[1,2-a]pyrimidine-3-carboxylate|methyl 1-[3-(1H-imidazol-1-yl)propyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C20H20N6O3 |
|---|---|
| Molecular Weight | 392.1597 g/mol |
| LogP | 1.51049 |
| Topological Polar Surface Area | 107.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1597 |
| Monoisotopic Mass | 392.1597 |
| Heavy Atoms | 29 |
| Complexity | 1334.5854 |
Chemical Identifiers
| CAS Number | 607386-73-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4C=CN=C4)C(=O)OC |
Product Overview
AC1LL7ZH (CAS 607386-73-2), with molecular formula C20H20N6O3 and molecular weight 392.1597 g/mol. IUPAC: methyl 7-(3-imidazol-1-ylpropyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
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