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

Systemtic Name: 2-[(4-azanylquinazolin-2-yl)methylsulfanyl]-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one CAS Name: 2-[(4-amino-2-quinazolinyl)methylthio]-3-(3-hydroxypropyl)-4-quinazolinone IUPAC Name: 2-[(4-aminoquinazolin-2-yl)methylsulfanyl]-3-(3-hydroxypropyl)quinazolin-4-one Traditional Name: 2-[(4-aminoquinazolin-2-yl)methylthio]-3-(3-hydroxypropyl)quinazolin-4-one Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCCO)N

InChI

InChI=1S/C20H19N5O2S/c21-18-13-6-1-3-8-15(13)22-17(24-18)12-28-20-23-16-9-4-2-7-14(16)19(27)25(20)10-5-11-26/h1-4,6-9,26H,5,10-12H2,(H2,21,22,24)