1,8-diethyl-3-(2-methylbutyl)-6-sulfanylidene-7H-purin-2-one

Systemtic Name: 1,8-diethyl-3-(2-methylbutyl)-6-sulfanylidene-7H-purin-2-one Openeye Name: 1,8-diethyl-3-(2-methylbutyl)-6-thioxo-7H-purin-2-one CAS Name: 1,8-diethyl-3-(2-methylbutyl)-6-sulfanylidene-7H-purin-2-one IUPAC Name: 1,8-diethyl-3-(2-methylbutyl)-6-sulfanylidene-7H-purin-2-one Traditional Name: 1,8-diethyl-3-(2-methylbutyl)-6-thioxo-7H-purin-2-one Formula: C14H22N4OS MolecularWeight: 294.41568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=S)N(C(=O)N2CC(C)CC)CC

Isomeric SMILES

CCC1=NC2=C(N1)C(=S)N(C(=O)N2CC(C)CC)CC

InChI

InChI=1S/C14H22N4OS/c1-5-9(4)8-18-12-11(15-10(6-2)16-12)13(20)17(7-3)14(18)19/h9H,5-8H2,1-4H3,(H,15,16)