N4-(4-butylphenyl)-6-(4-methylphenyl)sulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(4-butylphenyl)-6-(4-methylphenyl)sulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-(p-tolylsulfanyl)pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-[(4-methylphenyl)thio]pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(p-tolylthio)pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C21H24N4S MolecularWeight: 364.50706

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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

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)SC3=CC=C(C=C3)C)N

InChI

InChI=1S/C21H24N4S/c1-3-4-5-16-8-10-17(11-9-16)25-20-19(22)21(24-14-23-20)26-18-12-6-15(2)7-13-18/h6-14H,3-5,22H2,1-2H3,(H,23,24,25)