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

Systemtic Name: 4-azanyl-N-(3,4-dimethylphenyl)-9-phenyl-pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(3,4-dimethylphenyl)-9-phenyl-pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(3,4-dimethylphenyl)-9-phenyl-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(3,4-dimethylphenyl)-9-phenylpyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-N-(3,4-dimethylphenyl)-9-phenyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C25H21N5O MolecularWeight: 407.46714

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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)C(=N2)N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21N5O/c1-15-12-13-17(14-16(15)2)27-25(31)23-28-22(26)21-19-10-6-7-11-20(19)30(24(21)29-23)18-8-4-3-5-9-18/h3-14H,1-2H3,(H,27,31)(H2,26,28,29)