N-aminocarbonyl-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-aminocarbonyl-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-carbamoyl-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-carbamoyl-3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-carbamoyl-3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-carbamoyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C10H12N6O2S MolecularWeight: 280.30628

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCC(=O)NC(=O)N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCC(=O)NC(=O)N

InChI

InChI=1S/C10H12N6O2S/c1-16-8-6(4-14-16)9(13-5-12-8)19-3-2-7(17)15-10(11)18/h4-5H,2-3H2,1H3,(H3,11,15,17,18)