ethyl 2-[3-methyl-7-[(5-nitrofuran-2-yl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate

Systemtic Name: ethyl 2-[3-methyl-7-[(5-nitrofuran-2-yl)methyl]-2,6-bis(oxidanylidene)purin-8-yl]sulfanylbutanoate Openeye Name: ethyl 2-[3-methyl-7-[(5-nitro-2-furyl)methyl]-2,6-dioxo-purin-8-yl]sulfanylbutanoate CAS Name: 2-[[3-methyl-7-[(5-nitro-2-furanyl)methyl]-2,6-dioxo-8-purinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[3-methyl-7-[(5-nitrofuran-2-yl)methyl]-2,6-dioxopurin-8-yl]sulfanylbutanoate Traditional Name: 2-[[2,6-diketo-3-methyl-7-[(5-nitro-2-furyl)methyl]purin-8-yl]thio]butyric acid ethyl ester Formula: C17H19N5O7S MolecularWeight: 437.42706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NC2=C(N1CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC(=O)N2C

Isomeric SMILES

CCC(C(=O)OCC)SC1=NC2=C(N1CC3=CC=C(O3)[N+](=O)[O-])C(=O)NC(=O)N2C

InChI

InChI=1S/C17H19N5O7S/c1-4-10(15(24)28-5-2)30-17-18-13-12(14(23)19-16(25)20(13)3)21(17)8-9-6-7-11(29-9)22(26)27/h6-7,10H,4-5,8H2,1-3H3,(H,19,23,25)