(6,7-dimethoxy-2-phenyl-quinazolin-4-yl) pyrrolidine-1-carbodithioate

Systemtic Name: (6,7-dimethoxy-2-phenyl-quinazolin-4-yl) pyrrolidine-1-carbodithioate Openeye Name: (6,7-dimethoxy-2-phenyl-quinazolin-4-yl) pyrrolidine-1-carbodithioate CAS Name: 1-pyrrolidinecarbodithioic acid (6,7-dimethoxy-2-phenyl-4-quinazolinyl) ester IUPAC Name: (6,7-dimethoxy-2-phenylquinazolin-4-yl) pyrrolidine-1-carbodithioate Traditional Name: pyrrolidine-1-carbodithioic acid (6,7-dimethoxy-2-phenyl-quinazolin-4-yl) ester Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)SC(=S)N4CCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)SC(=S)N4CCCC4)OC

InChI

InChI=1S/C21H21N3O2S2/c1-25-17-12-15-16(13-18(17)26-2)22-19(14-8-4-3-5-9-14)23-20(15)28-21(27)24-10-6-7-11-24/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3