3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione CAS Name: 3-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]-1H-quinazoline-2,4-quinone Formula: C19H23N6O2+ MolecularWeight: 367.42492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C(=O)C3=CC=CC=C3NC2=O)C4=NC=CC=N4

InChI

InChI=1S/C19H22N6O2/c26-17-15-5-1-2-6-16(15)22-19(27)25(17)10-4-9-23-11-13-24(14-12-23)18-20-7-3-8-21-18/h1-3,5-8H,4,9-14H2,(H,22,27)/p+1