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

Systemtic Name: N4-(4-butylphenyl)-6-(4-chlorophenyl)sulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(4-butylphenyl)-6-(4-chlorophenyl)sulfanyl-pyrimidine-4,5-diamine CAS Name: N4-(4-butylphenyl)-6-[(4-chlorophenyl)thio]pyrimidine-4,5-diamine IUPAC Name: 4-N-(4-butylphenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-[(4-chlorophenyl)thio]pyrimidin-4-yl]-(4-butylphenyl)amine Formula: C20H21ClN4S MolecularWeight: 384.92554

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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)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4S/c1-2-3-4-14-5-9-16(10-6-14)25-19-18(22)20(24-13-23-19)26-17-11-7-15(21)8-12-17/h5-13H,2-4,22H2,1H3,(H,23,24,25)