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

Systemtic Name: N-methyl-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-methyl-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-methyl-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-methyl-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: methyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C14H11N5O2S MolecularWeight: 313.33444

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O2S/c1-15-13-12(19(20)21)14(18-8-17-13)22-10-6-2-4-9-5-3-7-16-11(9)10/h2-8H,1H3,(H,15,17,18)