N-butyl-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide

Systemtic Name: N-butyl-2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-butyl-2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-butyl-2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-butyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-butyl-2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)acetamide Formula: C13H18ClN5O3 MolecularWeight: 327.76672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCNC(=O)CN1C2=C(N=C1Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H18ClN5O3/c1-4-5-6-15-8(20)7-19-9-10(16-12(19)14)17(2)13(22)18(3)11(9)21/h4-7H2,1-3H3,(H,15,20)