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

Systemtic Name: N-(1-chloranylbutan-2-yl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanamide Openeye Name: N-[1-(chloromethyl)propyl]-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetamide CAS Name: N-(1-chlorobutan-2-yl)-2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetamide IUPAC Name: N-(1-chlorobutan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide Traditional Name: N-[1-(chloromethyl)propyl]-2-(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:

CCC(CCl)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(CCl)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H18ClN5O3/c1-4-8(5-14)16-9(20)6-19-7-15-11-10(19)12(21)18(3)13(22)17(11)2/h7-8H,4-6H2,1-3H3,(H,16,20)