1,3-dibutyl-7-(3-oxidanylidenebutyl)-6-sulfanylidene-purin-2-one

Systemtic Name: 1,3-dibutyl-7-(3-oxidanylidenebutyl)-6-sulfanylidene-purin-2-one Openeye Name: 1,3-dibutyl-7-(3-oxobutyl)-6-thioxo-purin-2-one CAS Name: 1,3-dibutyl-7-(3-oxobutyl)-6-sulfanylidene-2-purinone IUPAC Name: 1,3-dibutyl-7-(3-oxobutyl)-6-sulfanylidenepurin-2-one Traditional Name: 1,3-dibutyl-7-(3-ketobutyl)-6-thioxo-purin-2-one Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=S)N(C1=O)CCCC)N(C=N2)CCC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=S)N(C1=O)CCCC)N(C=N2)CCC(=O)C

InChI

InChI=1S/C17H26N4O2S/c1-4-6-9-20-15-14(19(12-18-15)11-8-13(3)22)16(24)21(17(20)23)10-7-5-2/h12H,4-11H2,1-3H3