N-(3-methylbutyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(3-methylbutyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-isopentyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-methylbutyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(3-methylbutyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: isoamyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O2S/c1-12(2)8-10-20-17-16(23(24)25)18(22-11-21-17)26-14-7-3-5-13-6-4-9-19-15(13)14/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21,22)