N4-(3-methoxyphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine

Systemtic Name: N4-(3-methoxyphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine Openeye Name: N4-(3-methoxyphenyl)-6-phenylsulfanyl-pyrimidine-4,5-diamine CAS Name: N4-(3-methoxyphenyl)-6-(phenylthio)pyrimidine-4,5-diamine IUPAC Name: 4-N-(3-methoxyphenyl)-6-phenylsulfanylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(phenylthio)pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)SC3=CC=CC=C3)N

InChI

InChI=1S/C17H16N4OS/c1-22-13-7-5-6-12(10-13)21-16-15(18)17(20-11-19-16)23-14-8-3-2-4-9-14/h2-11H,18H2,1H3,(H,19,20,21)