N-(4-butoxyphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(4-butoxyphenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(4-butoxyphenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(4-butoxyphenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(4-butoxyphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (4-butoxyphenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S/c1-2-3-14-31-18-11-9-17(10-12-18)27-22-21(28(29)30)23(26-15-25-22)32-19-8-4-6-16-7-5-13-24-20(16)19/h4-13,15H,2-3,14H2,1H3,(H,25,26,27)