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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetamide Formula: C20H22N6O3S MolecularWeight: 426.49208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C20H22N6O3S/c1-4-5-6-12-7-8-13-14(9-12)30-19(22-13)23-15(27)10-26-18(28)16-17(21-11-24(16)2)25(3)20(26)29/h7-9,11H,4-6,10H2,1-3H3,(H,22,23,27)