ethyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-propan-2-yl-purin-8-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(7-isopropyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(1,3-dimethyl-2,6-dioxo-7-propan-2-yl-8-purinyl)thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-dimethyl-2,6-dioxo-7-propan-2-ylpurin-8-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(7-isopropyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]acetyl]amino]acetic acid ethyl ester Formula: C16H23N5O5S MolecularWeight: 397.44932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC2=C(N1C(C)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C16H23N5O5S/c1-6-26-11(23)7-17-10(22)8-27-15-18-13-12(21(15)9(2)3)14(24)20(5)16(25)19(13)4/h9H,6-8H2,1-5H3,(H,17,22)