6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one

Systemtic Name: 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one Openeye Name: 6-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-3,7-dihydropurin-2-one CAS Name: 6-[(2-methoxy-5-nitrophenyl)methylthio]-3,7-dihydropurin-2-one IUPAC Name: 6-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-3,7-dihydropurin-2-one Traditional Name: 6-[(2-methoxy-5-nitro-benzyl)thio]-3,7-dihydropurin-2-one Formula: C13H11N5O4S MolecularWeight: 333.32254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)NC3=C2NC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)NC3=C2NC=N3

InChI

InChI=1S/C13H11N5O4S/c1-22-9-3-2-8(18(20)21)4-7(9)5-23-12-10-11(15-6-14-10)16-13(19)17-12/h2-4,6H,5H2,1H3,(H2,14,15,16,17,19)