N-butan-2-yl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-butan-2-yl-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: 5-nitro-6-(p-tolylsulfanyl)-N-sec-butyl-pyrimidin-4-amine CAS Name: N-butan-2-yl-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-butan-2-yl-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: [5-nitro-6-(p-tolylthio)pyrimidin-4-yl]-sec-butyl-amine Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

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