3-(3-oxidanylpropyl)-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-oxidanylpropyl)-2-[(2-phenylazanyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(2-anilinothiazol-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(2-anilino-4-thiazolyl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(2-anilino-1,3-thiazol-4-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(2-anilinothiazol-4-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=CS2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C21H20N4O2S2/c26-12-6-11-25-19(27)17-9-4-5-10-18(17)24-21(25)29-14-16-13-28-20(23-16)22-15-7-2-1-3-8-15/h1-5,7-10,13,26H,6,11-12,14H2,(H,22,23)