N-(2-methoxy-5-methyl-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-(2-methoxy-5-methyl-phenyl)-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-(2-methoxy-5-methylphenyl)-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-(2-methoxy-5-methylphenyl)-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: (2-methoxy-5-methyl-phenyl)-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C21H17N5O3S MolecularWeight: 419.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3S/c1-13-8-9-16(29-2)15(11-13)25-20-19(26(27)28)21(24-12-23-20)30-17-7-3-5-14-6-4-10-22-18(14)17/h3-12H,1-2H3,(H,23,24,25)