[1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperidin-3-yl]methyl thiophene-2-carboxylate

Systemtic Name: [1-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]piperidin-3-yl]methyl thiophene-2-carboxylate Openeye Name: [1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-piperidyl]methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-3-piperidinyl]methyl ester IUPAC Name: [1-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)piperidin-3-yl]methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [1-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-3-piperidyl]methyl ester Formula: C18H21N5O4S MolecularWeight: 403.45544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCCC(C3)COC(=O)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCCC(C3)COC(=O)C4=CC=CS4

InChI

InChI=1S/C18H21N5O4S/c1-21-14-13(15(24)22(2)18(21)26)19-17(20-14)23-7-3-5-11(9-23)10-27-16(25)12-6-4-8-28-12/h4,6,8,11H,3,5,7,9-10H2,1-2H3,(H,19,20)