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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C18H18N6O4S MolecularWeight: 414.43832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H18N6O4S/c1-4-28-10-5-6-11-12(7-10)29-17(20-11)21-13(25)8-24-9-19-15-14(24)16(26)23(3)18(27)22(15)2/h5-7,9H,4,8H2,1-3H3,(H,20,21,25)