4-azanyl-9-(4-bromophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-(4-bromophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-(4-bromophenyl)-N-(p-tolyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(4-bromophenyl)-N-(4-methylphenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(4-bromophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(4-bromophenyl)-N-(p-tolyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C24H18BrN5O MolecularWeight: 472.33662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC=C(C=C5)Br)C(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC=C(C=C5)Br)C(=N2)N

InChI

InChI=1S/C24H18BrN5O/c1-14-6-10-16(11-7-14)27-24(31)22-28-21(26)20-18-4-2-3-5-19(18)30(23(20)29-22)17-12-8-15(25)9-13-17/h2-13H,1H3,(H,27,31)(H2,26,28,29)