5,5-bis(oxidanylidene)-[1,3]benzoxathiepino[5,4-d]pyrimidin-2-amine

Systemtic Name: 5,5-bis(oxidanylidene)-[1,3]benzoxathiepino[5,4-d]pyrimidin-2-amine Openeye Name: 5,5-dioxo-[1,3]benzoxathiepino[5,4-d]pyrimidin-2-amine CAS Name: 5,5-dioxo-[1,3]benzoxathiepino[5,4-d]pyrimidin-2-amine IUPAC Name: 5,5-dioxo-[1,3]benzoxathiepino[5,4-d]pyrimidin-2-amine Traditional Name: (5,5-diketo-[1,3]benzoxathiepino[5,4-d]pyrimidin-2-yl)amine Formula: C11H9N3O3S MolecularWeight: 263.27246

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC=C2C3=NC(=NC=C3S1(=O)=O)N

Isomeric SMILES

C1OC2=CC=CC=C2C3=NC(=NC=C3S1(=O)=O)N

InChI

InChI=1S/C11H9N3O3S/c12-11-13-5-9-10(14-11)7-3-1-2-4-8(7)17-6-18(9,15)16/h1-5H,6H2,(H2,12,13,14)