8-(6-ethoxy-5-nitro-pyrimidin-4-yl)sulfanylquinoline

Systemtic Name: 8-(6-ethoxy-5-nitro-pyrimidin-4-yl)sulfanylquinoline Openeye Name: 8-(6-ethoxy-5-nitro-pyrimidin-4-yl)sulfanylquinoline CAS Name: 8-[(6-ethoxy-5-nitro-4-pyrimidinyl)thio]quinoline IUPAC Name: 8-(6-ethoxy-5-nitropyrimidin-4-yl)sulfanylquinoline Traditional Name: 8-[(6-ethoxy-5-nitro-pyrimidin-4-yl)thio]quinoline Formula: C15H12N4O3S MolecularWeight: 328.34578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O3S/c1-2-22-14-13(19(20)21)15(18-9-17-14)23-11-7-3-5-10-6-4-8-16-12(10)11/h3-9H,2H2,1H3