4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-(4-sulfamoylphenyl)pyrimido[4,5-b]indole-2-carboxamide

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-(4-sulfamoylphenyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(4-sulfamoylphenyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(4-sulfamoylphenyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(4-sulfamoylphenyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-N-piperonyl-9-(4-sulfamoylphenyl)pyrimid[4,5-b]indole-2-carboxamide Formula: C25H20N6O5S MolecularWeight: 516.5285

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC4=C(C5=CC=CC=C5N4C6=CC=C(C=C6)S(=O)(=O)N)C(=N3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC4=C(C5=CC=CC=C5N4C6=CC=C(C=C6)S(=O)(=O)N)C(=N3)N

InChI

InChI=1S/C25H20N6O5S/c26-22-21-17-3-1-2-4-18(17)31(15-6-8-16(9-7-15)37(27,33)34)24(21)30-23(29-22)25(32)28-12-14-5-10-19-20(11-14)36-13-35-19/h1-11H,12-13H2,(H,28,32)(H2,26,29,30)(H2,27,33,34)