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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3)Br)Br

Isomeric SMILES

CC1=NC2=C(C=C(C=C2C(=O)N1CCN(C(C)C)C(=S)NC3=CC=CC=C3)Br)Br

InChI

InChI=1S/C21H22Br2N4OS/c1-13(2)26(21(29)25-16-7-5-4-6-8-16)9-10-27-14(3)24-19-17(20(27)28)11-15(22)12-18(19)23/h4-8,11-13H,9-10H2,1-3H3,(H,25,29)