8-nitro-3-oxidanyl-1-(phenylmethyl)-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione

Systemtic Name: 8-nitro-3-oxidanyl-1-(phenylmethyl)-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 1-benzyl-3-hydroxy-8-nitro-benzothiopheno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-hydroxy-8-nitro-1-(phenylmethyl)-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 1-benzyl-3-hydroxy-8-nitro-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 1-benzyl-3-hydroxy-8-nitro-benzothiopheno[3,2-d]pyrimidine-2,4-quinone Formula: C17H11N3O5S MolecularWeight: 369.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)O)SC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)O)SC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O5S/c21-16-15-14(12-8-11(20(24)25)6-7-13(12)26-15)18(17(22)19(16)23)9-10-4-2-1-3-5-10/h1-8,23H,9H2