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

Systemtic Name: N-butyl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-butyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-butyl-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-butyl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: 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:

CCCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-3-4-9-16-14-13(19(20)21)15(18-10-17-14)22-12-7-5-11(2)6-8-12/h5-8,10H,3-4,9H2,1-2H3,(H,16,17,18)