5-[4-(4-tert-butylphenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[4-(4-tert-butylphenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[4-(4-tert-butylphenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[4-(4-tert-butylphenoxy)phenyl]-5-[4-(2-pyrimidinyl)-1-piperazinyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[4-(4-tert-butylphenoxy)phenyl]-5-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[4-(4-tert-butylphenoxy)phenyl]-5-[4-(2-pyrimidyl)piperazino]barbituric acid Formula: C28H30N6O4 MolecularWeight: 514.5756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C3(C(=O)NC(=O)NC3=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C28H30N6O4/c1-27(2,3)19-5-9-21(10-6-19)38-22-11-7-20(8-12-22)28(23(35)31-26(37)32-24(28)36)34-17-15-33(16-18-34)25-29-13-4-14-30-25/h4-14H,15-18H2,1-3H3,(H2,31,32,35,36,37)