N-[1-[6-(6-benzamidopurin-9-yl)hexyl]-2-oxidanylidene-pyrimidin-4-yl]benzamide

Systemtic Name: N-[1-[6-(6-benzamidopurin-9-yl)hexyl]-2-oxidanylidene-pyrimidin-4-yl]benzamide Openeye Name: N-[1-[6-(6-benzamidopurin-9-yl)hexyl]-2-oxo-pyrimidin-4-yl]benzamide CAS Name: N-[1-[6-(6-benzamido-9-purinyl)hexyl]-2-oxo-4-pyrimidinyl]benzamide IUPAC Name: N-[1-[6-(6-benzamidopurin-9-yl)hexyl]-2-oxopyrimidin-4-yl]benzamide Traditional Name: N-[1-[6-(6-benzamidopurin-9-yl)hexyl]-2-keto-pyrimidin-4-yl]benzamide Formula: C29H28N8O3 MolecularWeight: 536.58442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCCCCCN3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCCCCCN3C=NC4=C3N=CN=C4NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H28N8O3/c38-27(21-11-5-3-6-12-21)33-23-15-18-36(29(40)34-23)16-9-1-2-10-17-37-20-32-24-25(30-19-31-26(24)37)35-28(39)22-13-7-4-8-14-22/h3-8,11-15,18-20H,1-2,9-10,16-17H2,(H,30,31,35,39)(H,33,34,38,40)