N-butyl-2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-phenyl-ethanamide

Systemtic Name: N-butyl-2-[7-(2-methoxyethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxo-purin-1-yl]-N-butyl-N-phenyl-acetamide CAS Name: N-butyl-2-[7-(2-methoxyethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]-N-phenylacetamide IUPAC Name: 2-[3-benzyl-7-(2-methoxyethyl)-2,6-dioxopurin-1-yl]-N-butyl-N-phenylacetamide Traditional Name: 2-[3-benzyl-2,6-diketo-7-(2-methoxyethyl)purin-1-yl]-N-butyl-N-phenyl-acetamide Formula: C27H31N5O4 MolecularWeight: 489.56614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)CN2C(=O)C3=C(N=CN3CCOC)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O4/c1-3-4-15-30(22-13-9-6-10-14-22)23(33)19-32-26(34)24-25(28-20-29(24)16-17-36-2)31(27(32)35)18-21-11-7-5-8-12-21/h5-14,20H,3-4,15-19H2,1-2H3