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

Systemtic Name: 2-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-(4,6-diaminopyrimidin-2-yl)sulfanylethyl]isoindoline-1,3-dione CAS Name: 2-[2-[(4,6-diamino-2-pyrimidinyl)thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4,6-diaminopyrimidin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(4,6-diaminopyrimidin-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H13N5O2S/c15-10-7-11(16)18-14(17-10)22-6-5-19-12(20)8-3-1-2-4-9(8)13(19)21/h1-4,7H,5-6H2,(H4,15,16,17,18)