6-(4-chlorophenyl)sulfanyl-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine

Systemtic Name: 6-(4-chlorophenyl)sulfanyl-5-nitro-N-(phenylmethyl)-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-6-(4-chlorophenyl)sulfanyl-5-nitro-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 6-[(4-chlorophenyl)thio]-5-nitro-N-(phenylmethyl)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-6-(4-chlorophenyl)sulfanyl-5-nitro-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[6-[(4-chlorophenyl)thio]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H16ClN5O2S MolecularWeight: 449.91274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=CC=N2)C3=C(C(=NC=N3)SC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN5O2S/c23-17-9-11-18(12-10-17)31-22-20(28(29)30)21(25-15-26-22)27(19-8-4-5-13-24-19)14-16-6-2-1-3-7-16/h1-13,15H,14H2