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

Systemtic Name: N-(3-methylbutyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-isopentyl-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-methylbutyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-methylbutyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: isoamyl-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S/c1-11(2)8-9-17-15-14(20(21)22)16(19-10-18-15)23-13-6-4-12(3)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,17,18,19)