6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C10H11N9S MolecularWeight: 289.31964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C10H11N9S/c1-19-7-5(2-15-19)8(14-4-13-7)20-3-6-16-9(11)18-10(12)17-6/h2,4H,3H2,1H3,(H4,11,12,16,17,18)