2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanamide

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(4-thiophen-2-yloxan-4-yl)methyl]ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[[4-(2-thienyl)tetrahydropyran-4-yl]methyl]acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(4-thiophen-2-yl-4-oxanyl)methyl]acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[[4-(2-thienyl)tetrahydropyran-4-yl]methyl]acetamide Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3(CCOCC3)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC3(CCOCC3)C4=CC=CS4

InChI

InChI=1S/C19H23N5O4S/c1-22-16-15(17(26)23(2)18(22)27)24(12-21-16)10-14(25)20-11-19(5-7-28-8-6-19)13-4-3-9-29-13/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,20,25)