2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[(2,4-dioxo-1H-pyrimidin-6-yl)methylthio]methyl]isoindole-1,3-dione IUPAC Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[(2,4-diketo-1H-pyrimidin-6-yl)methylthio]methyl]isoindoline-1,3-quinone Formula: C14H11N3O4S MolecularWeight: 317.31984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSCC3=CC(=O)NC(=O)N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSCC3=CC(=O)NC(=O)N3

InChI

InChI=1S/C14H11N3O4S/c18-11-5-8(15-14(21)16-11)6-22-7-17-12(19)9-3-1-2-4-10(9)13(17)20/h1-5H,6-7H2,(H2,15,16,18,21)