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

Systemtic Name: N-(3-methoxypropyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(3-methoxypropyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-methoxypropyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(3-methoxypropyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: 3-methoxypropyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCCNC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c1-25-10-4-9-19-16-15(22(23)24)17(21-11-20-16)26-13-7-2-5-12-6-3-8-18-14(12)13/h2-3,5-8,11H,4,9-10H2,1H3,(H,19,20,21)