2-[[3-cyclopropyl-2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-1-(3-methylbutyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-[[3-cyclopropyl-2,4-bis(oxidanylidene)quinazolin-1-yl]methyl]-1-(3-methylbutyl)benzimidazole-5-carboxylic acid Openeye Name: 2-[(3-cyclopropyl-2,4-dioxo-quinazolin-1-yl)methyl]-1-isopentyl-benzimidazole-5-carboxylic acid CAS Name: 2-[(3-cyclopropyl-2,4-dioxo-1-quinazolinyl)methyl]-1-(3-methylbutyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(3-cyclopropyl-2,4-dioxoquinazolin-1-yl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxylic acid Traditional Name: 2-[(3-cyclopropyl-2,4-diketo-quinazolin-1-yl)methyl]-1-isoamyl-benzimidazole-5-carboxylic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CN3C4=CC=CC=C4C(=O)N(C3=O)C5CC5

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CN3C4=CC=CC=C4C(=O)N(C3=O)C5CC5

InChI

InChI=1S/C25H26N4O4/c1-15(2)11-12-27-21-10-7-16(24(31)32)13-19(21)26-22(27)14-28-20-6-4-3-5-18(20)23(30)29(25(28)33)17-8-9-17/h3-7,10,13,15,17H,8-9,11-12,14H2,1-2H3,(H,31,32)