1-[2-[6,8-bis(bromanyl)-2-ethyl-4-oxidanylidene-quinazolin-3-yl]ethyl]-1-ethyl-3-phenyl-thiourea

Systemtic Name: 1-[2-[6,8-bis(bromanyl)-2-ethyl-4-oxidanylidene-quinazolin-3-yl]ethyl]-1-ethyl-3-phenyl-thiourea Openeye Name: 1-[2-(6,8-dibromo-2-ethyl-4-oxo-quinazolin-3-yl)ethyl]-1-ethyl-3-phenyl-thiourea CAS Name: 1-[2-(6,8-dibromo-2-ethyl-4-oxo-3-quinazolinyl)ethyl]-1-ethyl-3-phenylthiourea IUPAC Name: 1-[2-(6,8-dibromo-2-ethyl-4-oxoquinazolin-3-yl)ethyl]-1-ethyl-3-phenylthiourea Traditional Name: 1-[2-(6,8-dibromo-2-ethyl-4-keto-quinazolin-3-yl)ethyl]-1-ethyl-3-phenyl-thiourea Formula: C21H22Br2N4OS MolecularWeight: 538.29858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2C(=O)N1CCN(CC)C(=S)NC3=CC=CC=C3)Br)Br

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2C(=O)N1CCN(CC)C(=S)NC3=CC=CC=C3)Br)Br

InChI

InChI=1S/C21H22Br2N4OS/c1-3-18-25-19-16(12-14(22)13-17(19)23)20(28)27(18)11-10-26(4-2)21(29)24-15-8-6-5-7-9-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,24,29)