N-(1,3-benzodioxol-5-yl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: 1,3-benzodioxol-5-yl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H13N5O4S MolecularWeight: 419.41332

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H13N5O4S/c26-25(27)18-19(24-13-6-7-14-15(9-13)29-11-28-14)22-10-23-20(18)30-16-5-1-3-12-4-2-8-21-17(12)16/h1-10H,11H2,(H,22,23,24)