N-tert-butyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-tert-butyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-tert-butyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-tert-butyl-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-tert-butyl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: tert-butyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2S/c1-10-5-7-11(8-6-10)22-14-12(19(20)21)13(16-9-17-14)18-15(2,3)4/h5-9H,1-4H3,(H,16,17,18)