[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 5-nitrothiophene-2-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C18H21N5O6S MolecularWeight: 435.45424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC=C(S3)[N+](=O)[O-])CCC

InChI

InChI=1S/C18H21N5O6S/c1-3-5-9-22-15-14(16(24)20-18(22)26)21(8-4-2)12(19-15)10-29-17(25)11-6-7-13(30-11)23(27)28/h6-7H,3-5,8-10H2,1-2H3,(H,20,24,26)