(3Z)-8-butyl-3-(7,9-dihydropurin-8-ylidene)-4-ethoxy-naphthalene-2-thione

Systemtic Name: (3Z)-8-butyl-3-(7,9-dihydropurin-8-ylidene)-4-ethoxy-naphthalene-2-thione Openeye Name: (3Z)-8-butyl-3-(7,9-dihydropurin-8-ylidene)-4-ethoxy-naphthalene-2-thione CAS Name: (3Z)-8-butyl-3-(7,9-dihydropurin-8-ylidene)-4-ethoxy-2-naphthalenethione IUPAC Name: (3Z)-8-butyl-3-(7,9-dihydropurin-8-ylidene)-4-ethoxynaphthalene-2-thione Traditional Name: (3Z)-8-butyl-3-(7,9-dihydropurin-8-ylidene)-4-ethoxy-naphthalene-2-thione Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C(C(=C3NC4=CN=CN=C4N3)C(=S)C=C21)OCC

Isomeric SMILES

CCCCC1=CC=CC2=C(/C(=C/3\NC4=CN=CN=C4N3)/C(=S)C=C21)OCC

InChI

InChI=1S/C21H22N4OS/c1-3-5-7-13-8-6-9-14-15(13)10-17(27)18(19(14)26-4-2)21-24-16-11-22-12-23-20(16)25-21/h6,8-12,24H,3-5,7H2,1-2H3,(H,22,23,25)/b21-18+