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

Systemtic Name: 4-azanyl-N-(3,4-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(3,4-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(3,4-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(3,4-dimethylphenyl)-9-[(4-methoxyphenyl)methyl]pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-N-(3,4-dimethylphenyl)-9-p-anisyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)OC)C(=N2)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)OC)C(=N2)N)C

InChI

InChI=1S/C27H25N5O2/c1-16-8-11-19(14-17(16)2)29-27(33)25-30-24(28)23-21-6-4-5-7-22(21)32(26(23)31-25)15-18-9-12-20(34-3)13-10-18/h4-14H,15H2,1-3H3,(H,29,33)(H2,28,30,31)