8-nitro-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one

Systemtic Name: 8-nitro-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Openeye Name: 8-nitro-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one CAS Name: 8-nitro-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one IUPAC Name: 8-nitro-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-4-one Traditional Name: 8-nitro-3-(tetrahydrofurfuryl)-2-thioxo-1H-benzothiopheno[3,2-d]pyrimidin-4-one Formula: C15H13N3O4S2 MolecularWeight: 363.41142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C4=C(S3)C=CC(=C4)[N+](=O)[O-])NC2=S

InChI

InChI=1S/C15H13N3O4S2/c19-14-13-12(10-6-8(18(20)21)3-4-11(10)24-13)16-15(23)17(14)7-9-2-1-5-22-9/h3-4,6,9H,1-2,5,7H2,(H,16,23)