5-[4-(4-chlorophenyl)sulfanylphenyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[4-(4-chlorophenyl)sulfanylphenyl]pyrimidine-2,4-diamine Openeye Name: 5-[4-(4-chlorophenyl)sulfanylphenyl]pyrimidine-2,4-diamine CAS Name: 5-[4-[(4-chlorophenyl)thio]phenyl]pyrimidine-2,4-diamine IUPAC Name: 5-[4-(4-chlorophenyl)sulfanylphenyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[4-[(4-chlorophenyl)thio]phenyl]pyrimidin-4-yl]amine Formula: C16H13ClN4S MolecularWeight: 328.81922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CN=C(N=C2N)N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=CN=C(N=C2N)N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H13ClN4S/c17-11-3-7-13(8-4-11)22-12-5-1-10(2-6-12)14-9-20-16(19)21-15(14)18/h1-9H,(H4,18,19,20,21)