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

Systemtic Name: ethyl 5-[3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]propanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[3-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[3-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[3-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H31N5O5S MolecularWeight: 489.58774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=CC(=C(S3)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=CC(=C(S3)C(=O)OCC)C

InChI

InChI=1S/C23H31N5O5S/c1-5-8-12-27-15(24-20-18(27)21(30)26-23(32)28(20)11-6-2)9-10-16(29)25-17-13-14(4)19(34-17)22(31)33-7-3/h13H,5-12H2,1-4H3,(H,25,29)(H,26,30,32)