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

Systemtic Name: 2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]isoindoline-1,3-quinone Formula: C13H11N5O2S MolecularWeight: 301.32374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C13H11N5O2S/c14-9-5-10(15)17-13(16-9)21-6-18-11(19)7-3-1-2-4-8(7)12(18)20/h1-5H,6H2,(H4,14,15,16,17)