2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]quinazolin-4-one Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)CCCO

InChI

InChI=1S/C20H18N4O3S/c25-11-5-10-24-19(27)15-6-1-2-7-16(15)22-20(24)28-13-14-12-18(26)23-9-4-3-8-17(23)21-14/h1-4,6-9,12,25H,5,10-11,13H2