4,6,8-trimethyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]quinolin-2-amine

Systemtic Name: 4,6,8-trimethyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methylideneamino]quinolin-2-amine Openeye Name: 4,6,8-trimethyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)methyleneamino]quinolin-2-amine CAS Name: 4,6,8-trimethyl-N-[(E)-[3-nitro-4-(2-pyrimidinylthio)phenyl]methylideneamino]-2-quinolinamine IUPAC Name: 4,6,8-trimethyl-N-[(E)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]quinolin-2-amine Traditional Name: [(E)-[3-nitro-4-(2-pyrimidylthio)benzylidene]amino]-(4,6,8-trimethyl-2-quinolyl)amine Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)NN=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)N/N=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C)C

InChI

InChI=1S/C23H20N6O2S/c1-14-9-16(3)22-18(10-14)15(2)11-21(27-22)28-26-13-17-5-6-20(19(12-17)29(30)31)32-23-24-7-4-8-25-23/h4-13H,1-3H3,(H,27,28)/b26-13+