4-azanyl-9-(3,4-dichlorophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-9-(3,4-dichlorophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-(3,4-dichlorophenyl)-N-(p-tolyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(3,4-dichlorophenyl)-N-(4-methylphenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(3,4-dichlorophenyl)-N-(4-methylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(3,4-dichlorophenyl)-N-(p-tolyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C24H17Cl2N5O MolecularWeight: 462.33068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17Cl2N5O/c1-13-6-8-14(9-7-13)28-24(32)22-29-21(27)20-16-4-2-3-5-19(16)31(23(20)30-22)15-10-11-17(25)18(26)12-15/h2-12H,1H3,(H,28,32)(H2,27,29,30)