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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-ethyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-N-ethyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)-N-ethylacetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-ethylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)-N-ethyl-acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C18H18N6O3S/c1-4-23(17-20-11-7-5-6-8-12(11)28-17)13(25)9-24-16(26)14-15(19-10-21(14)2)22(3)18(24)27/h5-8,10H,4,9H2,1-3H3