N-(thiophen-2-ylmethyl)-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfonyl-propanamide

Systemtic Name: N-(thiophen-2-ylmethyl)-3-[1,3,9-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfonyl-propanamide Openeye Name: N-(2-thienylmethyl)-3-(1,3,9-trimethyl-2,6-dioxo-purin-8-yl)sulfonyl-propanamide CAS Name: N-(thiophen-2-ylmethyl)-3-[(1,3,9-trimethyl-2,6-dioxo-8-purinyl)sulfonyl]propanamide IUPAC Name: N-(thiophen-2-ylmethyl)-3-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfonylpropanamide Traditional Name: 3-(2,6-diketo-1,3,9-trimethyl-purin-8-yl)sulfonyl-N-(2-thenyl)propionamide Formula: C16H19N5O5S2 MolecularWeight: 425.48256

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)NCC3=CC=CS3

Isomeric SMILES

CN1C2=C(C(=O)N(C(=O)N2C)C)N=C1S(=O)(=O)CCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C16H19N5O5S2/c1-19-13-12(14(23)21(3)16(24)20(13)2)18-15(19)28(25,26)8-6-11(22)17-9-10-5-4-7-27-10/h4-5,7H,6,8-9H2,1-3H3,(H,17,22)