[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C22H29N5O5S MolecularWeight: 475.56116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCNC(=O)C3=CSC=C3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)CCCNC(=O)C3=CSC=C3)CCC

InChI

InChI=1S/C22H29N5O5S/c1-3-5-11-27-19-18(21(30)25-22(27)31)26(10-4-2)16(24-19)13-32-17(28)7-6-9-23-20(29)15-8-12-33-14-15/h8,12,14H,3-7,9-11,13H2,1-2H3,(H,23,29)(H,25,30,31)