N-(furan-2-ylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine

Systemtic Name: N-(furan-2-ylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Openeye Name: N-(2-furylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine CAS Name: N-(2-furanylmethyl)-2-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: N-(furan-2-ylmethyl)-2-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]quinazolin-3-ium-4-amine Traditional Name: 2-furfuryl-[2-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]quinazolin-3-ium-4-yl]amine Formula: C22H25N7O+2 MolecularWeight: 403.4802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=CO4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C(=[NH+]2)NCC4=CC=CO4)C5=NC=CC=N5

InChI

InChI=1S/C22H23N7O/c1-2-7-19-18(6-1)21(25-15-17-5-3-14-30-17)27-20(26-19)16-28-10-12-29(13-11-28)22-23-8-4-9-24-22/h1-9,14H,10-13,15-16H2,(H,25,26,27)/p+2