N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)C2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O2S/c1-24-11-8-15(9-12-24)25(2)19-18(26(27)28)20(23-13-22-19)29-16-7-3-5-14-6-4-10-21-17(14)16/h3-7,10,13,15H,8-9,11-12H2,1-2H3