9-(4-nitrophenyl)sulfanyl-3H-purine-2,6-dione

Systemtic Name: 9-(4-nitrophenyl)sulfanyl-3H-purine-2,6-dione Openeye Name: 9-(4-nitrophenyl)sulfanyl-3H-purine-2,6-dione CAS Name: 9-[(4-nitrophenyl)thio]-3H-purine-2,6-dione IUPAC Name: 9-(4-nitrophenyl)sulfanyl-3H-purine-2,6-dione Traditional Name: 9-[(4-nitrophenyl)thio]xanthine Formula: C11H7N5O4S MolecularWeight: 305.26938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])SN2C=NC3=C2NC(=O)NC3=O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])SN2C=NC3=C2NC(=O)NC3=O

InChI

InChI=1S/C11H7N5O4S/c17-10-8-9(13-11(18)14-10)15(5-12-8)21-7-3-1-6(2-4-7)16(19)20/h1-5H,(H2,13,14,17,18)