N-[(4-methoxyphenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-[(4-methoxyphenyl)methyl]-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: [5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]-p-anisyl-amine Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c1-29-16-9-7-14(8-10-16)12-23-20-19(26(27)28)21(25-13-24-20)30-17-6-2-4-15-5-3-11-22-18(15)17/h2-11,13H,12H2,1H3,(H,23,24,25)