2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(3-methylquinoxalin-2-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(3-methyl-2-quinoxalinyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(3-methylquinoxalin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(3-methylquinoxalin-2-yl)methylthio]quinazolin-4-one Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H20N4O2S/c1-14-19(23-18-10-5-4-9-17(18)22-14)13-28-21-24-16-8-3-2-7-15(16)20(27)25(21)11-6-12-26/h2-5,7-10,26H,6,11-13H2,1H3