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

Systemtic Name: 4-azanyl-N-(1,3-benzodioxol-5-ylmethyl)-9-(2-morpholin-4-ylethyl)pyrimido[4,5-b]indole-2-carboxamide Openeye Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(2-morpholinoethyl)pyrimido[4,5-b]indole-2-carboxamide CAS Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-[2-(4-morpholinyl)ethyl]-2-pyrimido[4,5-b]indolecarboxamide IUPAC Name: 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-9-(2-morpholin-4-ylethyl)pyrimido[4,5-b]indole-2-carboxamide Traditional Name: 4-amino-9-(2-morpholinoethyl)-N-piperonyl-pyrimid[4,5-b]indole-2-carboxamide Formula: C25H26N6O4 MolecularWeight: 474.51174

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1COCCN1CCN2C3=CC=CC=C3C4=C2N=C(N=C4N)C(=O)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H26N6O4/c26-22-21-17-3-1-2-4-18(17)31(8-7-30-9-11-33-12-10-30)24(21)29-23(28-22)25(32)27-14-16-5-6-19-20(13-16)35-15-34-19/h1-6,13H,7-12,14-15H2,(H,27,32)(H2,26,28,29)