N-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine

Systemtic Name: N-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine Openeye Name: N-[6-(4-chlorophenyl)sulfanyl-5-nitro-pyrimidin-4-yl]-2-methyl-quinolin-8-amine CAS Name: N-[6-[(4-chlorophenyl)thio]-5-nitro-4-pyrimidinyl]-2-methyl-8-quinolinamine IUPAC Name: N-[6-(4-chlorophenyl)sulfanyl-5-nitropyrimidin-4-yl]-2-methylquinolin-8-amine Traditional Name: [6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(2-methyl-8-quinolyl)amine Formula: C20H14ClN5O2S MolecularWeight: 423.87546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H14ClN5O2S/c1-12-5-6-13-3-2-4-16(17(13)24-12)25-19-18(26(27)28)20(23-11-22-19)29-15-9-7-14(21)8-10-15/h2-11H,1H3,(H,22,23,25)