N-[(4-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C18H15ClN4O2S MolecularWeight: 386.8553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN4O2S/c1-12-2-8-15(9-3-12)26-18-16(23(24)25)17(21-11-22-18)20-10-13-4-6-14(19)7-5-13/h2-9,11H,10H2,1H3,(H,20,21,22)