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

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-(furan-2-ylmethyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(2-furylmethyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(2-furanylmethyl)-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(furan-2-ylmethyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(2-furfuryl)-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C24H19N5O4 MolecularWeight: 441.43876

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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=C5N4CC6=CC=CO6)C(=N3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=NC4=C(C5=CC=CC=C5N4CC6=CC=CO6)C(=N3)N

InChI

InChI=1S/C24H19N5O4/c25-21-20-16-5-1-2-6-17(16)29(12-15-4-3-9-31-15)23(20)28-22(27-21)24(30)26-11-14-7-8-18-19(10-14)33-13-32-18/h1-10H,11-13H2,(H,26,30)(H2,25,27,28)