N-(3-bromophenyl)-7-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride

Systemtic Name: N-(3-bromophenyl)-7-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride Openeye Name: N-(3-bromophenyl)-7-nitro-benzothiopheno[3,2-d]pyrimidin-4-amine hydrochloride CAS Name: N-(3-bromophenyl)-7-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride IUPAC Name: N-(3-bromophenyl)-7-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine hydrochloride Traditional Name: (3-bromophenyl)-(7-nitrobenzothiopheno[3,2-d]pyrimidin-4-yl)amine hydrochloride Formula: C16H10BrClN4O2S MolecularWeight: 437.6982

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