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

Systemtic Name: 5-nitro-N-propyl-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: 5-nitro-N-propyl-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: 5-nitro-N-propyl-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: 5-nitro-N-propyl-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-propyl-amine Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O2S/c1-2-8-18-15-14(21(22)23)16(20-10-19-15)24-12-7-3-5-11-6-4-9-17-13(11)12/h3-7,9-10H,2,8H2,1H3,(H,18,19,20)