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

Systemtic Name: 8-nitro-3-oxidanyl-1-[(2-phenylphenyl)methyl]-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Openeye Name: 3-hydroxy-8-nitro-1-[(2-phenylphenyl)methyl]benzothiopheno[3,2-d]pyrimidine-2,4-dione CAS Name: 3-hydroxy-8-nitro-1-[(2-phenylphenyl)methyl]-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione IUPAC Name: 3-hydroxy-8-nitro-1-[(2-phenylphenyl)methyl]-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione Traditional Name: 3-hydroxy-8-nitro-1-(2-phenylbenzyl)benzothiopheno[3,2-d]pyrimidine-2,4-quinone Formula: C23H15N3O5S MolecularWeight: 445.4473

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2CN3C4=C(C(=O)N(C3=O)O)SC5=C4C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2CN3C4=C(C(=O)N(C3=O)O)SC5=C4C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H15N3O5S/c27-22-21-20(18-12-16(26(30)31)10-11-19(18)32-21)24(23(28)25(22)29)13-15-8-4-5-9-17(15)14-6-2-1-3-7-14/h1-12,29H,13H2