4-[[4-[4-(3-oxidanylpropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-[4-(3-oxidanylpropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-[4-(3-hydroxypropylthio)phenyl]-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-[4-(3-hydroxypropylsulfanyl)phenyl]pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-[4-(3-hydroxypropylthio)phenyl]pyrimidin-2-yl]amino]benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)N)SCCCO

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)N)SCCCO

InChI

InChI=1S/C20H20N4O2S/c21-19(26)15-2-6-16(7-3-15)23-20-22-11-10-18(24-20)14-4-8-17(9-5-14)27-13-1-12-25/h2-11,25H,1,12-13H2,(H2,21,26)(H,22,23,24)