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

Systemtic Name: 5-nitro-N-(phenylmethyl)-6-phenylsulfanyl-N-pyridin-2-yl-pyrimidin-4-amine Openeye Name: N-benzyl-5-nitro-6-phenylsulfanyl-N-(2-pyridyl)pyrimidin-4-amine CAS Name: 5-nitro-N-(phenylmethyl)-6-(phenylthio)-N-(2-pyridinyl)-4-pyrimidinamine IUPAC Name: N-benzyl-5-nitro-6-phenylsulfanyl-N-pyridin-2-ylpyrimidin-4-amine Traditional Name: benzyl-[5-nitro-6-(phenylthio)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C22H17N5O2S MolecularWeight: 415.46768

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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=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O2S/c28-27(29)20-21(24-16-25-22(20)30-18-11-5-2-6-12-18)26(19-13-7-8-14-23-19)15-17-9-3-1-4-10-17/h1-14,16H,15H2