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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(4-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C17H16N6O3S/c1-9-5-4-6-10-12(9)20-16(27-10)19-11(24)7-23-15(25)13-14(18-8-21(13)2)22(3)17(23)26/h4-6,8H,7H2,1-3H3,(H,19,20,24)