3-phenethyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1H-quinazoline-2,4-dione

Systemtic Name: 3-phenethyl-7-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1H-quinazoline-2,4-dione Openeye Name: 3-phenethyl-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione CAS Name: 7-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-3-phenethyl-1H-quinazoline-2,4-dione IUPAC Name: 3-phenethyl-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1H-quinazoline-2,4-dione Traditional Name: 3-phenethyl-7-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-quinone Formula: C25H24N6O3 MolecularWeight: 456.49646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C25H24N6O3/c32-22(29-13-15-30(16-14-29)24-26-10-4-11-27-24)19-7-8-20-21(17-19)28-25(34)31(23(20)33)12-9-18-5-2-1-3-6-18/h1-8,10-11,17H,9,12-16H2,(H,28,34)