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

Systemtic Name: 2-[7-butyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-(3-benzyl-7-butyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: 2-[7-butyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: 2-(3-benzyl-7-butyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: 2-(3-benzyl-7-butyl-2,6-diketo-purin-1-yl)acetamide Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C18H21N5O3/c1-2-3-9-21-12-20-16-15(21)17(25)23(11-14(19)24)18(26)22(16)10-13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H2,19,24)