5-nitro-N-(1-phenylethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(1-phenylethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-(1-phenylethyl)-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(1-phenylethyl)-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(1-phenylethyl)-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-(1-phenylethyl)amine Formula: C21H17N5O2S MolecularWeight: 403.45698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O2S/c1-14(15-7-3-2-4-8-15)25-20-19(26(27)28)21(24-13-23-20)29-17-11-5-9-16-10-6-12-22-18(16)17/h2-14H,1H3,(H,23,24,25)