N-(4-butylphenyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(4-butylphenyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)-N-(4-butylphenyl)acetamide CAS Name: N-(4-butylphenyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)-N-(4-butylphenyl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-(4-butylphenyl)acetamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3CC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C(=O)C3=C(N=CN3CC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N5O3/c1-3-5-9-19-12-14-21(15-13-19)28-22(32)17-31-25(33)23-24(27-18-29(23)4-2)30(26(31)34)16-20-10-7-6-8-11-20/h6-8,10-15,18H,3-5,9,16-17H2,1-2H3,(H,28,32)