N-cycloheptyl-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-cycloheptyl-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-cycloheptyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-cycloheptyl-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-cycloheptyl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: cycloheptyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2S/c26-25(27)18-19(24-15-9-3-1-2-4-10-15)22-13-23-20(18)28-16-11-5-7-14-8-6-12-21-17(14)16/h5-8,11-13,15H,1-4,9-10H2,(H,22,23,24)