2-[3-(4-azanylpyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(4-azanylpyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(4-aminopyrimidin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4-amino-2-pyrimidinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4-aminopyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4-aminopyrimidin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C15H14N4O2S MolecularWeight: 314.36226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC=CC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSC3=NC=CC(=N3)N

InChI

InChI=1S/C15H14N4O2S/c16-12-6-7-17-15(18-12)22-9-3-8-19-13(20)10-4-1-2-5-11(10)14(19)21/h1-2,4-7H,3,8-9H2,(H2,16,17,18)