N-(1,3-benzothiazol-2-ylmethyl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CC(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N6O3S/c1-21-9-19-15-14(21)16(25)23(17(26)22(15)2)8-12(24)18-7-13-20-10-5-3-4-6-11(10)27-13/h3-6,9H,7-8H2,1-2H3,(H,18,24)