tert-butyl 2-[6-oxidanylidene-2-(pent-4-enoylamino)-3H-purin-9-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-oxidanylidene-2-(pent-4-enoylamino)-3H-purin-9-yl]ethanoate Openeye Name: tert-butyl 2-[6-oxo-2-(pent-4-enoylamino)-3H-purin-9-yl]acetate CAS Name: 2-[6-oxo-2-(1-oxopent-4-enylamino)-3H-purin-9-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-oxo-2-(pent-4-enoylamino)-3H-purin-9-yl]acetate Traditional Name: 2-[6-keto-2-(pent-4-enoylamino)-3H-purin-9-yl]acetic acid tert-butyl ester Formula: C16H21N5O4 MolecularWeight: 347.36904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C=NC2=C1NC(=NC2=O)NC(=O)CCC=C

Isomeric SMILES

CC(C)(C)OC(=O)CN1C=NC2=C1NC(=NC2=O)NC(=O)CCC=C

InChI

InChI=1S/C16H21N5O4/c1-5-6-7-10(22)18-15-19-13-12(14(24)20-15)17-9-21(13)8-11(23)25-16(2,3)4/h5,9H,1,6-8H2,2-4H3,(H2,18,19,20,22,24)