N-(4-chloranyl-3-phenylsulfanyl-phenyl)-4-methoxy-pyrimidin-2-amine

Systemtic Name: N-(4-chloranyl-3-phenylsulfanyl-phenyl)-4-methoxy-pyrimidin-2-amine Openeye Name: N-(4-chloro-3-phenylsulfanyl-phenyl)-4-methoxy-pyrimidin-2-amine CAS Name: N-[4-chloro-3-(phenylthio)phenyl]-4-methoxy-2-pyrimidinamine IUPAC Name: N-(4-chloro-3-phenylsulfanylphenyl)-4-methoxypyrimidin-2-amine Traditional Name: [4-chloro-3-(phenylthio)phenyl]-(4-methoxypyrimidin-2-yl)amine Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1)NC2=CC(=C(C=C2)Cl)SC3=CC=CC=C3

Isomeric SMILES

COC1=NC(=NC=C1)NC2=CC(=C(C=C2)Cl)SC3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3OS/c1-22-16-9-10-19-17(21-16)20-12-7-8-14(18)15(11-12)23-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,21)