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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Openeye Name: 5-nitro-6-(p-tolylsulfanyl)-N-(3-pyridylmethyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-(3-pyridinylmethyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H15N5O2S MolecularWeight: 353.3983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O2S/c1-12-4-6-14(7-5-12)25-17-15(22(23)24)16(20-11-21-17)19-10-13-3-2-8-18-9-13/h2-9,11H,10H2,1H3,(H,19,20,21)