4-nitro-2-(7H-purin-6-ylsulfanylmethyl)phenol

Systemtic Name: 4-nitro-2-(7H-purin-6-ylsulfanylmethyl)phenol Openeye Name: 4-nitro-2-(7H-purin-6-ylsulfanylmethyl)phenol CAS Name: 4-nitro-2-[(7H-purin-6-ylthio)methyl]phenol IUPAC Name: 4-nitro-2-(7H-purin-6-ylsulfanylmethyl)phenol Traditional Name: 4-nitro-2-[(7H-purin-6-ylthio)methyl]phenol Formula: C12H9N5O3S MolecularWeight: 303.29656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N5O3S/c18-9-2-1-8(17(19)20)3-7(9)4-21-12-10-11(14-5-13-10)15-6-16-12/h1-3,5-6,18H,4H2,(H,13,14,15,16)