3-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione CAS Name: 3-[4-[4-(5-phenyl-2-pyrimidinyl)-1-piperazinyl]butyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[4-[4-(5-phenylpyrimidin-2-yl)piperazin-1-yl]butyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[4-[4-(5-phenylpyrimidin-2-yl)piperazino]butyl]-1H-quinazoline-2,4-quinone Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3NC2=O)C4=NC=C(C=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3NC2=O)C4=NC=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6O2/c33-24-22-10-4-5-11-23(22)29-26(34)32(24)13-7-6-12-30-14-16-31(17-15-30)25-27-18-21(19-28-25)20-8-2-1-3-9-20/h1-5,8-11,18-19H,6-7,12-17H2,(H,29,34)