3-methyl-7-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-8-sulfanylidene-9H-purine-2,6-dione

Systemtic Name: 3-methyl-7-[3-(4-nitrophenoxy)-2-oxidanyl-propyl]-8-sulfanylidene-9H-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-thioxo-9H-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-sulfanylidene-9H-purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-8-thioxo-9H-purine-2,6-quinone Formula: C15H15N5O6S MolecularWeight: 393.3745

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=S)N2)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H15N5O6S/c1-18-12-11(13(22)17-14(18)23)19(15(27)16-12)6-9(21)7-26-10-4-2-8(3-5-10)20(24)25/h2-5,9,21H,6-7H2,1H3,(H,16,27)(H,17,22,23)