methyl 3-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C23H31N5O5S/c1-4-6-8-13-27-16(9-10-17(29)24-15-11-14-34-19(15)22(31)33-3)25-20-18(27)21(30)26-23(32)28(20)12-7-5-2/h11,14H,4-10,12-13H2,1-3H3,(H,24,29)(H,26,30,32)