2-[[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2-azanyl-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[2-amino-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[2-amino-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-6-yl]methyl]isoindoline-1,3-quinone Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)CCCCC2=C(NC(=NC2=O)N)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22N4O3/c24-23-25-19(14-27-21(29)16-11-6-7-12-17(16)22(27)30)18(20(28)26-23)13-5-4-10-15-8-2-1-3-9-15/h1-3,6-9,11-12H,4-5,10,13-14H2,(H3,24,25,26,28)