tert-butyl 4-[7-(3-butylsulfanylpropoxy)-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-(3-butylsulfanylpropoxy)-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(3-butylsulfanylpropoxy)-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[7-[3-(butylthio)propoxy]-6-methoxy-4-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(3-butylsulfanylpropoxy)-6-methoxyquinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-[3-(butylthio)propoxy]-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H38N4O4S MolecularWeight: 490.65862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCCCSCCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C25H38N4O4S/c1-6-7-14-34-15-8-13-32-22-17-20-19(16-21(22)31-5)23(27-18-26-20)28-9-11-29(12-10-28)24(30)33-25(2,3)4/h16-18H,6-15H2,1-5H3