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

Systemtic Name: 2-[2-[(4-azanylpyrimidin-2-yl)methylsulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[(4-aminopyrimidin-2-yl)methylsulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4-amino-2-pyrimidinyl)methylthio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(4-aminopyrimidin-2-yl)methylsulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4-aminopyrimidin-2-yl)methylthio]ethyl]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)CCSCC3=NC=CC(=N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCC3=NC=CC(=N3)N

InChI

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