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

Systemtic Name: N-(4-butylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(4-butylphenyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(4-butylphenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(4-butylphenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (4-butylphenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c1-3-4-5-16-8-10-17(11-9-16)24-20-19(25(26)27)21(23-14-22-20)28-18-12-6-15(2)7-13-18/h6-14H,3-5H2,1-2H3,(H,22,23,24)