N-cyclohexyl-N'-(2-thiophen-2-ylpyrimido[5,4-c]cinnolin-4-yl)propane-1,3-diamine

Systemtic Name: N-cyclohexyl-N'-(2-thiophen-2-ylpyrimido[5,4-c]cinnolin-4-yl)propane-1,3-diamine Openeye Name: N-cyclohexyl-N'-[2-(2-thienyl)pyrimido[5,4-c]cinnolin-4-yl]propane-1,3-diamine CAS Name: N-cyclohexyl-N'-(2-thiophen-2-yl-4-pyrimido[5,4-c]cinnolinyl)propane-1,3-diamine IUPAC Name: N-cyclohexyl-N'-(2-thiophen-2-ylpyrimido[5,4-c]cinnolin-4-yl)propane-1,3-diamine Traditional Name: cyclohexyl-[3-[[2-(2-thienyl)pyrimido[5,4-c]cinnolin-4-yl]amino]propyl]amine Formula: C23H26N6S MolecularWeight: 418.55774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNC2=NC(=NC3=C2N=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)NCCCNC2=NC(=NC3=C2N=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H26N6S/c1-2-8-16(9-3-1)24-13-7-14-25-23-21-20(17-10-4-5-11-18(17)28-29-21)26-22(27-23)19-12-6-15-30-19/h4-6,10-12,15-16,24H,1-3,7-9,13-14H2,(H,25,26,27)