4-[2-octyl-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]piperazin-1-yl]benzenecarboximidamide

Systemtic Name: 4-[2-octyl-4-[2,4,6-tris(oxidanylidene)-1,3-diazinan-1-yl]piperazin-1-yl]benzenecarboximidamide Openeye Name: 4-[2-octyl-4-(2,4,6-trioxohexahydropyrimidin-1-yl)piperazin-1-yl]benzamidine CAS Name: 4-[2-octyl-4-(2,4,6-trioxo-1,3-diazinan-1-yl)-1-piperazinyl]benzenecarboximidamide IUPAC Name: 4-[2-octyl-4-(2,4,6-trioxo-1,3-diazinan-1-yl)piperazin-1-yl]benzenecarboximidamide Traditional Name: 4-[2-octyl-4-(2,4,6-triketohexahydropyrimidin-1-yl)piperazino]benzamidine Formula: C23H34N6O3 MolecularWeight: 442.55446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)C(=N)N)N3C(=O)CC(=O)NC3=O

Isomeric SMILES

CCCCCCCCC1CN(CCN1C2=CC=C(C=C2)C(=N)N)N3C(=O)CC(=O)NC3=O

InChI

InChI=1S/C23H34N6O3/c1-2-3-4-5-6-7-8-19-16-27(29-21(31)15-20(30)26-23(29)32)13-14-28(19)18-11-9-17(10-12-18)22(24)25/h9-12,19H,2-8,13-16H2,1H3,(H3,24,25)(H,26,30,32)