4-azanyl-N-phenethyl-9-(4-sulfamoylphenyl)pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-N-phenethyl-9-(4-sulfamoylphenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-phenethyl-9-(4-sulfamoylphenyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-phenethyl-9-(4-sulfamoylphenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-phenethyl-9-(4-sulfamoylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-N-phenethyl-9-(4-sulfamoylphenyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C25H22N6O3S MolecularWeight: 486.54558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC=C(C=C5)S(=O)(=O)N)C(=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C4=CC=CC=C4N3C5=CC=C(C=C5)S(=O)(=O)N)C(=N2)N

InChI

InChI=1S/C25H22N6O3S/c26-22-21-19-8-4-5-9-20(19)31(17-10-12-18(13-11-17)35(27,33)34)24(21)30-23(29-22)25(32)28-15-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,28,32)(H2,26,29,30)(H2,27,33,34)