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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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