N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: homoveratryl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C23H21N5O4S MolecularWeight: 463.50894

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H21N5O4S/c1-31-17-9-8-15(13-18(17)32-2)10-12-25-22-21(28(29)30)23(27-14-26-22)33-19-7-3-5-16-6-4-11-24-20(16)19/h3-9,11,13-14H,10,12H2,1-2H3,(H,25,26,27)