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

Systemtic Name: tert-butyl 4-[7-(3-ethylsulfanylpropoxy)-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(3-ethylsulfanylpropoxy)-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[7-[3-(ethylthio)propoxy]-6-methoxy-4-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-(3-ethylsulfanylpropoxy)-6-methoxyquinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-[3-(ethylthio)propoxy]-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H34N4O4S MolecularWeight: 462.60546

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCSCCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C23H34N4O4S/c1-6-32-13-7-12-30-20-15-18-17(14-19(20)29-5)21(25-16-24-18)26-8-10-27(11-9-26)22(28)31-23(2,3)4/h14-16H,6-13H2,1-5H3