N-(3-imidazol-1-ylpropyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C19H17N7O2S MolecularWeight: 407.44898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC3=NC=NC(=C3[N+](=O)[O-])NCCCN4C=CN=C4)N=CC=C2

InChI

InChI=1S/C19H17N7O2S/c27-26(28)17-18(22-8-3-10-25-11-9-20-13-25)23-12-24-19(17)29-15-6-1-4-14-5-2-7-21-16(14)15/h1-2,4-7,9,11-13H,3,8,10H2,(H,22,23,24)