5-piperazin-4-ium-1-ylquinazolin-3-ium-2,4-diamine

Systemtic Name: 5-piperazin-4-ium-1-ylquinazolin-3-ium-2,4-diamine Openeye Name: 5-piperazin-4-ium-1-ylquinazolin-3-ium-2,4-diamine CAS Name: 5-(1-piperazin-4-iumyl)quinazolin-3-ium-2,4-diamine IUPAC Name: 5-piperazin-4-ium-1-ylquinazolin-3-ium-2,4-diamine Traditional Name: (2-amino-5-piperazin-4-ium-1-yl-quinazolin-3-ium-4-yl)amine Formula: C12H18N6+2 MolecularWeight: 246.31152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=CC3=C2C(=[NH+]C(=N3)N)N

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=CC3=C2C(=[NH+]C(=N3)N)N

InChI

InChI=1S/C12H16N6/c13-11-10-8(16-12(14)17-11)2-1-3-9(10)18-6-4-15-5-7-18/h1-3,15H,4-7H2,(H4,13,14,16,17)/p+2