4-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[[4-[(5-methyl-2-furyl)methylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[[4-[(5-methyl-2-furanyl)methylamino]-2-quinazolinyl]methyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[[4-[(5-methylfuran-2-yl)methylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[[4-[(5-methyl-2-furyl)methylamino]quinazolin-2-yl]methyl]piperazin-4-ium-1-carbaldehyde Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C=O

Isomeric SMILES

CC1=CC=C(O1)CNC2=NC(=NC3=CC=CC=C32)C[NH+]4CCN(CC4)C=O

InChI

InChI=1S/C20H23N5O2/c1-15-6-7-16(27-15)12-21-20-17-4-2-3-5-18(17)22-19(23-20)13-24-8-10-25(14-26)11-9-24/h2-7,14H,8-13H2,1H3,(H,21,22,23)/p+1