ethyl 4-[(5-bromanylfuran-2-yl)carbonylamino]-9-(phenylmethyl)pyrimido[4,5-b]indole-2-carboxylate

Systemtic Name: ethyl 4-[(5-bromanylfuran-2-yl)carbonylamino]-9-(phenylmethyl)pyrimido[4,5-b]indole-2-carboxylate Openeye Name: ethyl 9-benzyl-4-[(5-bromofuran-2-carbonyl)amino]pyrimido[4,5-b]indole-2-carboxylate CAS Name: 4-[[(5-bromo-2-furanyl)-oxomethyl]amino]-9-(phenylmethyl)-2-pyrimido[4,5-b]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 9-benzyl-4-[(5-bromofuran-2-carbonyl)amino]pyrimido[4,5-b]indole-2-carboxylate Traditional Name: 9-benzyl-4-[(5-bromo-2-furoyl)amino]pyrimid[4,5-b]indole-2-carboxylic acid ethyl ester Formula: C25H19BrN4O4 MolecularWeight: 519.34676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)C(=N1)NC(=O)C5=CC=C(O5)Br

Isomeric SMILES

CCOC(=O)C1=NC2=C(C3=CC=CC=C3N2CC4=CC=CC=C4)C(=N1)NC(=O)C5=CC=C(O5)Br

InChI

InChI=1S/C25H19BrN4O4/c1-2-33-25(32)22-27-21(29-24(31)18-12-13-19(26)34-18)20-16-10-6-7-11-17(16)30(23(20)28-22)14-15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,27,28,29,31)