8-nitro-N-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride

Systemtic Name: 8-nitro-N-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride Openeye Name: 8-nitro-N-phenyl-benzothiopheno[3,2-d]pyrimidin-4-amine hydrochloride CAS Name: 8-nitro-N-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride IUPAC Name: 8-nitro-N-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride Traditional Name: (8-nitrobenzothiopheno[3,2-d]pyrimidin-4-yl)-phenyl-amine hydrochloride Formula: C16H11ClN4O2S MolecularWeight: 358.80214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H10N4O2S.ClH/c21-20(22)11-6-7-13-12(8-11)14-15(23-13)16(18-9-17-14)19-10-4-2-1-3-5-10;/h1-9H,(H,17,18,19);1H