N-(3-bromophenyl)-6-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride

Systemtic Name: N-(3-bromophenyl)-6-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride Openeye Name: N-(3-bromophenyl)-6-nitro-benzothiopheno[3,2-d]pyrimidin-4-amine hydrochloride CAS Name: N-(3-bromophenyl)-6-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride IUPAC Name: N-(3-bromophenyl)-6-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride Traditional Name: (3-bromophenyl)-(6-nitrobenzothiopheno[3,2-d]pyrimidin-4-yl)amine hydrochloride Formula: C16H10BrClN4O2S MolecularWeight: 437.6982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9BrN4O2S.ClH/c17-9-3-1-4-10(7-9)20-16-15-13(18-8-19-16)11-5-2-6-12(21(22)23)14(11)24-15;/h1-8H,(H,18,19,20);1H