6-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[4-(ethylamino)quinazolin-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SC(C)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H20N4O3S/c1-3-22-20-14-6-4-5-7-15(14)24-21(25-20)29-12(2)19(27)13-8-9-17-16(10-13)23-18(26)11-28-17/h4-10,12H,3,11H2,1-2H3,(H,23,26)(H,22,24,25)