2-(6-bromanyl-1H-benzimidazol-2-yl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline

Systemtic Name: 2-(6-bromanyl-1H-benzimidazol-2-yl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline Openeye Name: 2-(6-bromo-1H-benzimidazol-2-yl)-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline CAS Name: 2-(6-bromo-1H-benzimidazol-2-yl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline IUPAC Name: 2-(6-bromo-1H-benzimidazol-2-yl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline Traditional Name: 2-(6-bromo-1H-benzimidazol-2-yl)-4-p-cumenyl-6-propargyloxy-quinazoline Formula: C27H21BrN4O MolecularWeight: 497.38584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(N4)C=C(C=C5)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(N4)C=C(C=C5)Br

InChI

InChI=1S/C27H21BrN4O/c1-4-13-33-20-10-12-22-21(15-20)25(18-7-5-17(6-8-18)16(2)3)32-27(29-22)26-30-23-11-9-19(28)14-24(23)31-26/h1,5-12,14-16H,13H2,2-3H3,(H,30,31)