2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-4-nitro-phenol

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-4-nitro-phenol Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-4-nitro-phenol CAS Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-4-nitrophenol IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-4-nitrophenol Traditional Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-4-nitro-phenol Formula: C12H10N6O3S MolecularWeight: 318.3112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N6O3S/c13-12-16-10-9(14-5-15-10)11(17-12)22-4-6-3-7(18(20)21)1-2-8(6)19/h1-3,5,19H,4H2,(H3,13,14,15,16,17)