1,3-bis(1H-perimidin-4-yl)propan-2-one hydrochloride

Systemtic Name: 1,3-bis(1H-perimidin-4-yl)propan-2-one hydrochloride Openeye Name: 1,3-bis(1H-perimidin-4-yl)propan-2-one hydrochloride CAS Name: 1,3-bis(1H-perimidin-4-yl)-2-propanone hydrochloride IUPAC Name: 1,3-bis(1H-perimidin-4-yl)propan-2-one hydrochloride Traditional Name: 1,3-bis(1H-perimidin-4-yl)acetone hydrochloride Formula: C25H19ClN4O MolecularWeight: 426.89756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)NC=NC3=C(C=C2)CC(=O)CC4=C5C6=C(C=CC=C6NC=N5)C=C4.Cl

Isomeric SMILES

C1=CC2=C3C(=C1)NC=NC3=C(C=C2)CC(=O)CC4=C5C6=C(C=CC=C6NC=N5)C=C4.Cl

InChI

InChI=1S/C25H18N4O.ClH/c30-19(11-17-9-7-15-3-1-5-20-22(15)24(17)28-13-26-20)12-18-10-8-16-4-2-6-21-23(16)25(18)29-14-27-21;/h1-10,13-14H,11-12H2,(H,26,28)(H,27,29);1H