N-[4-[[3-butyl-1-(2-methoxyethyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[3-butyl-1-(2-methoxyethyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[3-butyl-1-(2-methoxyethyl)-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[3-butyl-1-(2-methoxyethyl)-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[3-butyl-1-(2-methoxyethyl)-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[3-butyl-2,6-diketo-1-(2-methoxyethyl)-7H-purin-8-yl]methyl]phenyl]acetamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCOC)NC(=N2)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCOC)NC(=N2)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H27N5O4/c1-4-5-10-25-19-18(20(28)26(21(25)29)11-12-30-3)23-17(24-19)13-15-6-8-16(9-7-15)22-14(2)27/h6-9H,4-5,10-13H2,1-3H3,(H,22,27)(H,23,24)