N-(3-methylphenyl)-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine

Systemtic Name: N-(3-methylphenyl)-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine Openeye Name: N-(m-tolyl)-8-nitro-benzothiopheno[3,2-d]pyrimidin-4-amine CAS Name: N-(3-methylphenyl)-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine IUPAC Name: N-(3-methylphenyl)-8-nitro-[1]benzothiolo[3,2-d]pyrimidin-4-amine Traditional Name: m-tolyl-(8-nitrobenzothiopheno[3,2-d]pyrimidin-4-yl)amine Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=C2SC4=C3C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O2S/c1-10-3-2-4-11(7-10)20-17-16-15(18-9-19-17)13-8-12(21(22)23)5-6-14(13)24-16/h2-9H,1H3,(H,18,19,20)