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

Systemtic Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3-morpholinopropyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-[3-(4-morpholinyl)propyl]-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(3-morpholin-4-ylpropyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: 3-morpholinopropyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1CCCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O3S/c27-26(28)18-19(22-8-3-9-25-10-12-29-13-11-25)23-14-24-20(18)30-16-6-1-4-15-5-2-7-21-17(15)16/h1-2,4-7,14H,3,8-13H2,(H,22,23,24)