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

Systemtic Name: tert-butyl 4-[6-methoxy-7-(3-propylsulfanylpropoxy)quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-methoxy-7-(3-propylsulfanylpropoxy)quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-methoxy-7-[3-(propylthio)propoxy]-4-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methoxy-7-(3-propylsulfanylpropoxy)quinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[6-methoxy-7-[3-(propylthio)propoxy]quinazolin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H36N4O4S MolecularWeight: 476.63204

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)OC(C)(C)C)OC

Isomeric SMILES

CCCSCCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)OC(C)(C)C)OC

InChI

InChI=1S/C24H36N4O4S/c1-6-13-33-14-7-12-31-21-16-19-18(15-20(21)30-5)22(26-17-25-19)27-8-10-28(11-9-27)23(29)32-24(2,3)4/h15-17H,6-14H2,1-5H3