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

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butyramide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C20H22N6O4S/c1-4-30-12-7-8-13-14(10-12)31-19(22-13)23-15(27)6-5-9-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2/h7-8,10-11H,4-6,9H2,1-3H3,(H,22,23,27)