2-[3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropyl]isoindoline-1,3-dione CAS Name: 2-[3-[(4,6-diamino-2-pyrimidinyl)thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(4,6-diaminopyrimidin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(4,6-diaminopyrimidin-2-yl)thio]propyl]isoindoline-1,3-quinone Formula: C15H15N5O2S MolecularWeight: 329.3769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O2S/c16-11-8-12(17)19-15(18-11)23-7-3-6-20-13(21)9-4-1-2-5-10(9)14(20)22/h1-2,4-5,8H,3,6-7H2,(H4,16,17,18,19)