N4-(3-iodanyl-4-methyl-phenyl)-6-phenylsulfanyl-pyrimidine-2,4-diamine

Systemtic Name: N4-(3-iodanyl-4-methyl-phenyl)-6-phenylsulfanyl-pyrimidine-2,4-diamine Openeye Name: N4-(3-iodo-4-methyl-phenyl)-6-phenylsulfanyl-pyrimidine-2,4-diamine CAS Name: N4-(3-iodo-4-methylphenyl)-6-(phenylthio)pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-iodo-4-methylphenyl)-6-phenylsulfanylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-(phenylthio)pyrimidin-4-yl]-(3-iodo-4-methyl-phenyl)amine Formula: C17H15IN4S MolecularWeight: 434.29727

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)SC3=CC=CC=C3)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=CC(=NC(=N2)N)SC3=CC=CC=C3)I

InChI

InChI=1S/C17H15IN4S/c1-11-7-8-12(9-14(11)18)20-15-10-16(22-17(19)21-15)23-13-5-3-2-4-6-13/h2-10H,1H3,(H3,19,20,21,22)