5-nitro-6-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

Systemtic Name: 5-nitro-6-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 5-nitro-6-phenylsulfanyl-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 5-nitro-6-(phenylthio)-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 5-nitro-6-phenylsulfanyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(phenylthio)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N5O2S/c22-21(23)14-15(18-10-12-5-4-8-17-9-12)19-11-20-16(14)24-13-6-2-1-3-7-13/h1-9,11H,10H2,(H,18,19,20)