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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C(=NC=N1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O2S/c1-4-18(5-2)14-13(19(20)21)15(17-10-16-14)22-12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3