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The molecular formula is C16H19N5S.
It was created on 2009-11-19 and last modified on 2023-12-30.
The IUPAC name is 4-methyl-2-(4-methylpiperazin-1-yl)-5H-pyrimido[4,5-b][1,4]benzothiazine.
The InChI is InChI=1S/C16H19N5S/c1-11-14-15(22-13-6-4-3-5-12(13)18-14)19-16(17-11)21-9-7-20(2)8-10-21/h3-6,18H,7-10H2,1-2H3.
The Canonical SMILES is CC1=C2C(=NC(=N1)N3CCN(CC3)C)SC4=CC=CC=C4N2.
The XLogP3-AA value is 3.2.
It has 1 Hydrogen Bond Donor Count.
The topological polar surface area is 69.6 Ų.
It has 0 defined atom stereocenter counts.
Yes, the compound is canonicalized.
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928840-99-7
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![2,4-Dichloro-7-iodo-5H-pyrrolo[3,2-d]pyrimidine](https://resource.alfa-chemistry.com/structure/928840-99-7.gif)
