1-butyl-3-ethyl-7-(2-oxidanylidenepropyl)-6-sulfanylidene-purin-2-one

Systemtic Name: 1-butyl-3-ethyl-7-(2-oxidanylidenepropyl)-6-sulfanylidene-purin-2-one Openeye Name: 7-acetonyl-1-butyl-3-ethyl-6-thioxo-purin-2-one CAS Name: 1-butyl-3-ethyl-7-(2-oxopropyl)-6-sulfanylidene-2-purinone IUPAC Name: 1-butyl-3-ethyl-7-(2-oxopropyl)-6-sulfanylidenepurin-2-one Traditional Name: 7-acetonyl-1-butyl-3-ethyl-6-thioxo-purin-2-one Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=S)C2=C(N=CN2CC(=O)C)N(C1=O)CC

Isomeric SMILES

CCCCN1C(=S)C2=C(N=CN2CC(=O)C)N(C1=O)CC

InChI

InChI=1S/C14H20N4O2S/c1-4-6-7-18-13(21)11-12(17(5-2)14(18)20)15-9-16(11)8-10(3)19/h9H,4-8H2,1-3H3