4-[3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 4-[3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-hydroxy-propoxy]benzonitrile CAS Name: 4-[3-[[4-(ethylamino)-2-quinazolinyl]thio]-2-hydroxypropoxy]benzonitrile IUPAC Name: 4-[3-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-hydroxypropoxy]benzonitrile Traditional Name: 4-[3-[[4-(ethylamino)quinazolin-2-yl]thio]-2-hydroxy-propoxy]benzonitrile Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(COC3=CC=C(C=C3)C#N)O

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(COC3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C20H20N4O2S/c1-2-22-19-17-5-3-4-6-18(17)23-20(24-19)27-13-15(25)12-26-16-9-7-14(11-21)8-10-16/h3-10,15,25H,2,12-13H2,1H3,(H,22,23,24)