5-nitro-N-(oxolan-2-ylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: 5-nitro-N-(oxolan-2-ylmethyl)-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-6-(8-quinolylsulfanyl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(2-oxolanylmethyl)-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-(oxolan-2-ylmethyl)-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-(tetrahydrofurfuryl)amine Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c24-23(25)16-17(20-10-13-6-3-9-26-13)21-11-22-18(16)27-14-7-1-4-12-5-2-8-19-15(12)14/h1-2,4-5,7-8,11,13H,3,6,9-10H2,(H,20,21,22)