N-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]ethyl]-2-methoxy-benzamide

Systemtic Name: N-[2-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]sulfanyl]ethyl]-2-methoxy-benzamide Openeye Name: N-[2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]ethyl]-2-methoxy-benzamide CAS Name: N-[2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)thio]ethyl]-2-methoxybenzamide IUPAC Name: N-[2-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]ethyl]-2-methoxybenzamide Traditional Name: N-[2-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)thio]ethyl]-2-methoxy-benzamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCNC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCCNC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C17H19N5O4S/c1-21-13-12(15(24)22(2)17(21)25)19-16(20-13)27-9-8-18-14(23)10-6-4-5-7-11(10)26-3/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,20)