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

Systemtic Name: tert-butyl 4-[6-methoxy-7-[3-(3-methylbutylsulfanyl)propoxy]quinazolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-(3-isopentylsulfanylpropoxy)-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylate CAS Name: 4-[6-methoxy-7-[3-(3-methylbutylthio)propoxy]-4-quinazolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methoxy-7-[3-(3-methylbutylsulfanyl)propoxy]quinazolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-[3-(isoamylthio)propoxy]-6-methoxy-quinazolin-4-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H40N4O4S MolecularWeight: 504.6852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N4O4S/c1-19(2)8-15-35-14-7-13-33-23-17-21-20(16-22(23)32-6)24(28-18-27-21)29-9-11-30(12-10-29)25(31)34-26(3,4)5/h16-19H,7-15H2,1-6H3