5-nitro-N,N-bis(phenylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N,N-bis(phenylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N,N-dibenzyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N,N-bis(phenylmethyl)-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N,N-dibenzyl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: dibenzyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C27H21N5O2S MolecularWeight: 479.55294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=NC=N3)SC4=CC=CC5=C4N=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O2S/c33-32(34)25-26(31(17-20-9-3-1-4-10-20)18-21-11-5-2-6-12-21)29-19-30-27(25)35-23-15-7-13-22-14-8-16-28-24(22)23/h1-16,19H,17-18H2