tert-butyl 2-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-(2-methylpropanoylamino)-6-oxidanylidene-3H-purin-9-yl]ethanoate Openeye Name: tert-butyl 2-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]acetate CAS Name: 2-[2-[(2-methyl-1-oxopropyl)amino]-6-oxo-3H-purin-9-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(2-methylpropanoylamino)-6-oxo-3H-purin-9-yl]acetate Traditional Name: 2-[2-(isobutyrylamino)-6-keto-3H-purin-9-yl]acetic acid tert-butyl ester Formula: C15H21N5O4 MolecularWeight: 335.35834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)CC(=O)OC(C)(C)C

InChI

InChI=1S/C15H21N5O4/c1-8(2)12(22)18-14-17-11-10(13(23)19-14)16-7-20(11)6-9(21)24-15(3,4)5/h7-8H,6H2,1-5H3,(H2,17,18,19,22,23)