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

Systemtic Name: 4-azanyl-9-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-9-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-9-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-9-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(4-chlorophenyl)-N-(3,4-dimethylphenyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C25H20ClN5O MolecularWeight: 441.9122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN5O/c1-14-7-10-17(13-15(14)2)28-25(32)23-29-22(27)21-19-5-3-4-6-20(19)31(24(21)30-23)18-11-8-16(26)9-12-18/h3-13H,1-2H3,(H,28,32)(H2,27,29,30)