N-(1-methoxypropan-2-yl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(1-methoxypropan-2-yl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(2-methoxy-1-methyl-ethyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(1-methoxypropan-2-yl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(1-methoxypropan-2-yl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(COC)NC1=C(C(=NC=N1)SC2=CC=CC3=C2N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3S/c1-11(9-25-2)21-16-15(22(23)24)17(20-10-19-16)26-13-7-3-5-12-6-4-8-18-14(12)13/h3-8,10-11H,9H2,1-2H3,(H,19,20,21)