6-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-N-(phenylmethyl)pyrimidin-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C(=NC=N2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

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